Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30066793 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CYP1A2HSD17B10HPGDCYP2A6 | |
| SCHEMBL13839779 | 0.82 | TSHR (0.52) | ALDH1A1CYP1A2HSD17B10HPGDCYP2A6 | |
| SCHEMBL30361992 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CYP1A2HSD17B10HPGDCYP2A6 | |
| SCHEMBL1239327 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CYP1A2HSD17B10HPGDCYP2A6 | |
| SCHEMBL27904278 | 0.76 | CYP1A2 (0.50) | ALDH1A1CYP1A2HSD17B10HPGDCYP2A6 | |
| SCHEMBL9424681 | 0.75 | CYP1A2 (0.50) | ALDH1A1CYP1A2HSD17B10HPGDCYP2A6 | |
| SCHEMBL31001028 | 0.73 | CYP1A2 (0.52) | ALDH1A1CYP1A2HSD17B10HPGDCYP2A6 | |
| SCHEMBL13319469 | 0.73 | CES1 (0.46) | ALDH1A1CYP1A2HSD17B10HPGDCYP2A6 | |
| SCHEMBL21252665 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CYP1A2HSD17B10HPGDCYP2A6 | |
| SCHEMBL18965318 | 0.71 | ALDH1A1 (0.42) | ALDH1A1CYP1A2HSD17B10CYP2A6TSHR |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1206427-B1 | CHIRAL LIGANDS, TRANSITION-METAL COMPLEXES THEREOF AND USES THEREOF IN ASYMMETRIC REACTIONS | PENN STATE RES FOUND (US) | 2005-11-09 | — | — | EP | disclosed |
| US-6962758-B2 | Organic light-emitting device using iptycene derivatives | CANON KABUSHIKI KAISHA (JP) | 2005-11-08 | — | — | US | disclosed |
| WO-2005056543-A2 | PROCESS FOR USE IN THE PREPARATION OF OXIRANES FROM ALKENES, AND CATALYSTS FOR USE THEREIN | AVECIA PHARMACEUTICALS LIMITED (GB) | 2005-06-23 | — | — | WO | disclosed |
| WO-2005051381-A1 | Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) | BIOVITRUM AB (SE) | 2005-06-09 | — | — | WO | disclosed |
| US-6872475-B2 | Binaphthalene derivatives for organic electro-luminescent devices | CANON KABUSHIKI KAISHA (JP) | 2005-03-29 | — | — | US | disclosed |
| US-20040253479-A1 | Organic light-emitting device using iptycene derivatives | CANON KABUSHIKI KAISHA (JP) | 2004-12-16 | — | — | US | disclosed |
| US-6828271-B2 | To form transition metal complexes which are used in such as asymmetric hydrogenation of imines, asymmetric hydride transfer reactions, hydrosilylation, hydroboration, hydrovinylation hydroformylation, allylic alkylation, etc. | THE PENN STATE RESEARCH FOUNDATION | 2004-12-07 | — | — | US | disclosed |
| EP-1426429-A1 | Binaphthalene derivatives for organic electro-luminescent devices | CANON KABUSHIKI KAISHA (JP) | 2004-06-09 | — | — | EP | disclosed |
| US-20040106003-A1 | Binaphthalene derivatives for organic electro-luminescent devices | CANON KABUSHIKI KAISHA (JP) | 2004-06-03 | — | — | US | disclosed |
| EP-1413617-A1 | Organic light-emitting device using iptycene derivatives | CANON KABUSHIKI KAISHA (JP) | 2004-04-28 | — | — | EP | disclosed |
| US-20040048099-A1 | Organic light-emitting device using iptycene derivatives | CANON KABUSHIKI KAISHA (JP) | 2004-03-11 | — | — | US | disclosed |
| US-20030163003-A1 | Chiral ligands, transition-metal complexes thereof and uses thereof in asymmetric reactions | THE PENN STATE RESEARCH FOUNDATION | 2003-08-28 | — | — | US | disclosed |
| US-6525210-B1 | Binaphthyl phospholanes, chelating phosphines and ferrocene complexes thereof | THE PENN STATE RESEARCH FOUNDATION | 2003-02-25 | — | — | US | disclosed |
| EP-0795559-B1 | Substituted diphenylphosphanes and process for their production | CELANESE CHEM EUROPE GMBH (DE) | 2001-10-10 | — | — | EP | disclosed |
| EP-0646588-B1 | Cyclic derivatives of trivalent phosphorus | CELANESE CHEM EUROPE GMBH (DE) | 2000-01-26 | — | — | EP | disclosed |
| EP-0646588-A1 | Cyclic derivatives from trivalent phosphorus | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-04-05 | — | — | 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 (1 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-20030163003-A1 | Chiral ligands, transition-metal complexes thereof and uses thereof in asymmetric reactions | PFKFB3, PFKFB4, PFKFB2 | ALDH1A1 1474/4885CYP1A2 847/4885HSD17B10 1326/4885 |
“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.