Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.63 |
| ▸ | RAB9A | P51151 | 4/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.63 |
| ▸ | DRD2 | P14416 | 2/20 | 0.62 |
| ▸ | DRD4 | P21917 | 2/20 | 0.62 |
| ▸ | DRD3 | P35462 | 2/20 | 0.62 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.60 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.60 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.58 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.58 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.58 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.58 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.58 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL19734509 | 1.00 | NPC1 (0.63) | NPC1RAB9ASMN1; SMN2DRD2DRD4 | |
| SCHEMBL27934347 | 0.94 | GAA (0.61) | NPC1RAB9ASMN1; SMN2DRD2DRD4 | |
| SCHEMBL13714817 | 0.89 | EPHX2 (0.60) | NPC1RAB9ASMN1; SMN2DRD2DRD4 | |
| SCHEMBL162323 | 0.88 | GAA (0.68) | NPC1RAB9ASMN1; SMN2EPHX2HDAC3 | |
| Hydrochloric Acid SCHEMBL3581933 | 0.86 | GAA (0.65) | NPC1RAB9ASMN1; SMN2EPHX2HDAC3 | |
| Hydrochloric Acid SCHEMBL27504812 | 0.86 | GAA (0.65) | NPC1RAB9ASMN1; SMN2EPHX2HDAC3 | |
| SCHEMBL11337226 | 0.86 | GAA (0.65) | NPC1RAB9ASMN1; SMN2EPHX2HDAC3 | |
| SCHEMBL11337298 | 0.86 | GAA (0.65) | NPC1RAB9ASMN1; SMN2EPHX2HDAC3 | |
| SCHEMBL11335914 | 0.86 | GAA (0.65) | NPC1RAB9ASMN1; SMN2EPHX2HDAC3 | |
| SCHEMBL5909057 | 0.85 | CA12 (0.58) | NPC1RAB9AHDAC3HDAC1HDAC4 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3341007-B1 | MALT1 INHIBITORS AND USES THEREOF | UNIV CORNELL (US) | 2020-12-23 | — | — | EP | disclosed |
| CN-103265442-B | Novel pleuromutilin derivatives, as well as preparation method and anti-tumour application thereof | 北京理工大学 | 2017-02-08 | — | — | CN | disclosed |
| WO-2016183359-A1 | SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME | BLINKBIO, INC. (US) | 2016-11-17 | — | — | WO | disclosed |
| US-20160266133-A1 | NUCLEIC ACID-SCAFFOLDED SMALL MOLECULE LIBRARIES | ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) | 2016-09-15 | — | — | US | disclosed |
| WO-2015050505-A1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2015-04-09 | — | — | WO | disclosed |
| CN-103265442-A | Novel pleuromutilin derivatives, as well as preparation method and anti-tumour application thereof | BEIJING INST TECHNOLOGY | 2013-08-28 | — | — | CN | disclosed |
| US-8084615-B2 | Antibacterial agents | UNIVERSITY OF WASHINGTON (US) | 2011-12-27 | — | — | US | disclosed |
| US-20100256356-A1 | HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE | ARRAY BIOPHARMA INC. (US) | 2010-10-07 | — | — | US | disclosed |
| US-20090299063-A1 | Inhibitors for Extracellular Signal-Regulated Kinase Docking Domains and Uses Therefor | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-12-03 | — | — | US | disclosed |
| US-20090227588-A1 | Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors | FLECK ROMAN WOLFGANG | 2009-09-10 | — | — | US | disclosed |
| US-7576117-B1 | Cyclic amine CCR3 antagonist | TEIJIN LIMITED (JP) | 2009-08-18 | — | — | US | disclosed |
| US-7576117-B1 | Cyclic amine CCR3 antagonist | TEIJIN LIMITED (JP) | 2009-08-18 | — | — | US | disclosed |
| US-20090163496-A1 | ANTIBACTERIAL AGENTS | UNIVERSITY OF WASHINGTON (US) | 2009-06-25 | — | — | US | disclosed |
| US-5846990-A | Substituted biphenyl isoxazole sulfonamides | BRISTOL-MYERS SQUIBB CO. (US) | 1998-12-08 | — | — | US | 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-20100256356-A1 | HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE | ROR1, CYP11B1, CYP11B2 | NPC1 2180/4885RAB9A 2498/4885SMN1; SMN2 1840/4885 |
| US-20160266133-A1 | NUCLEIC ACID-SCAFFOLDED SMALL MOLECULE LIBRARIES | SNRPE, SARNP, SARS1 | NPC1 2440/4885RAB9A 3601/4885SMN1; SMN2 1887/4885 |
| US-20090227588-A1 | Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors | EPHX1, EPHX2, EPX | NPC1 1477/4885RAB9A 2708/4885SMN1; SMN2 4398/4885 |
| US-20090163496-A1 | ANTIBACTERIAL AGENTS | MRPL21, SI, PGLS | NPC1 371/4885RAB9A 557/4885SMN1; SMN2 2296/4885 |
“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.