Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 3/20 | 0.64 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | KDM1A | O60341 | 1/20 | 0.59 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.59 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.58 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | KLK7 | P49862 | 1/20 | 0.58 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL809457 | 1.00 | PREP (0.64) | PREPCTRB1CYP2C19SMN1; SMN2NPSR1 | |
| SCHEMBL1437568 | 1.00 | PREP (0.64) | PREPCTRB1CYP2C19SMN1; SMN2NPSR1 | |
| SCHEMBL11337356 | 0.96 | PREP (0.60) | PREPCTRB1CYP2C19SMN1; SMN2NPSR1 | |
| Hydrochloric Acid SCHEMBL27702337 | 0.95 | PREP (0.58) | PREPCTRB1CYP2C19SMN1; SMN2NPSR1 | |
| SCHEMBL1056316 | 0.92 | SMN1; SMN2 (0.63) | PREPCTRB1CYP2C19SMN1; SMN2NPSR1 | |
| SCHEMBL1056315 | 0.92 | SMN1; SMN2 (0.63) | PREPCTRB1CYP2C19SMN1; SMN2NPSR1 | |
| SCHEMBL30011307 | 0.90 | PREP (0.61) | PREPCTRB1NPSR1KDM1ARCOR1 | |
| SCHEMBL13209657 | 0.90 | PREP (0.61) | PREPCTRB1NPSR1KDM1ARCOR1 | |
| SCHEMBL12139909 | 0.90 | PREP (0.61) | PREPCTRB1NPSR1KDM1ARCOR1 | |
| SCHEMBL10173007 | 0.90 | PREP (0.61) | PREPCTRB1NPSR1KDM1ARCOR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112739343-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2021-04-30 | — | — | CN | disclosed |
| CN-112533598-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2021-03-19 | — | — | CN | disclosed |
| CN-111818916-A | Macrocyclic MCL-1 inhibitors and methods of use | 艾伯维公司 | 2020-10-23 | — | — | CN | disclosed |
| EP-1725548-B1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS | VERTEX PHARMA (US) | 2015-01-14 | — | — | EP | disclosed |
| EP-2399915-B1 | Process and intermediates for the preparation of aspartic acetal caspase inhibitors | VERTEX PHARMA (US) | 2014-12-17 | — | — | EP | disclosed |
| EP-2399916-B1 | Process and intermediates for the preparation of aspartic acetal caspase ihnhibitors | VERTEX PHARMA (US) | 2014-12-10 | — | — | EP | disclosed |
| EP-1836201-B2 | PYRROLIDINE INHIBITORS OF IAP | GENENTECH INC (US) | 2013-09-04 | — | — | EP | disclosed |
| US-8372985-B2 | Process of making α-aminooxyketone/α-aminooxyaldehyde and α-hydroxyketone/α-hydroxyaldehyde compounds and a process of making reaction products from cyclic α, β-unsaturated ketone substrates and nitroso substrates | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2013-02-12 | — | — | US | disclosed |
| US-8372985-B2 | Process of making α-aminooxyketone/α-aminooxyaldehyde and α-hydroxyketone/α-hydroxyaldehyde compounds and a process of making reaction products from cyclic α, β-unsaturated ketone substrates and nitroso substrates | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2013-02-12 | — | — | US | disclosed |
| US-8288371-B2 | Ortho pyrrolidine, benzyl-substituted heterocycle CCR1 antagonists for autoimmune diseases and inflammation | PHARMACOPEIA, LLC (US) | 2012-10-16 | — | — | US | disclosed |
| WO-2010042892-A1 | PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2010-04-15 | — | — | WO | disclosed |
| US-20090318409-A1 | PYRROLIDINE INHIBITORS OF IAP | GENENTECH, INC. (US) | 2009-12-24 | — | — | US | disclosed |
| US-20090176822-A1 | PYRROLIDINE INHIBITORS OF IAP | GENENTECH, INC. (US) | 2009-07-09 | — | — | US | disclosed |
| US-20090093472-A1 | ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION | PHARMACOPEIA, INC. (US) | 2009-04-09 | — | — | US | disclosed |
| EP-1817030-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | Kalypsys, Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006060424-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | KALYPSYS, INC. (US) | 2006-06-08 | — | — | WO | disclosed |
| US-20060116515-A1 | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS, INC. | 2006-06-01 | — | — | US | disclosed |
| EP-0195212-B1 | Novel peptidase inhibitors | MERRELL DOW PHARMA (US) | 1993-11-24 | — | — | EP | disclosed |
| US-4822892-A | ANTITUMOR AGENTS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1989-04-18 | — | — | US | disclosed |
| EP-0195212-A2 | Novel peptidase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-09-24 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060116515-A1 | Inducible nitric oxide synthase dimerization inhibitors | NOS3, NOS2, NOS1 | PREP 4027/4885CTRB1 1316/4885CYP2C19 632/4885 |
| US-20090093472-A1 | ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION | CCR1, CCR4, CCR3 | PREP 296/4885CTRB1 1105/4885CYP2C19 2465/4885 |
| US-20090176822-A1 | PYRROLIDINE INHIBITORS OF IAP | BIRC5, XIAP, BIRC2 | PREP 130/4885CTRB1 778/4885CYP2C19 4873/4885 |
| US-20090318409-A1 | PYRROLIDINE INHIBITORS OF IAP | BIRC5, XIAP, BIRC2 | PREP 130/4885CTRB1 778/4885CYP2C19 4873/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.