Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 3/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2965828 | 0.89 | ESR1 (0.34) | ESR2ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL4203318 | 0.83 | PSMB5 (0.38) | ESR2ALDH1A1MAPK1TSHRPTGDR2 | |
| SCHEMBL2482030 | 0.80 | DHODH (0.37) | ESR2PTGDR2CYP2A6NPSR1 | |
| SCHEMBL2963372 | 0.79 | AKR1C3 (0.33) | AKR1C3AKR1C2AKR1C1PDE4BPTGDR2 | |
| SCHEMBL2962116 | 0.79 | HSD11B1 (0.38) | ALDH1A1MAPK1NPC1RAB9APSMB5 | |
| SCHEMBL4653379 | 0.78 | METAP2 (0.41) | AKR1C3AKR1C2AKR1C1ESR2TSHR | |
| SCHEMBL29949127 | 0.78 | ALDH1A1 (0.33) | ESR2ALDH1A1NPC1RAB9A | |
| SCHEMBL14645967 | 0.78 | ALDH1A1 (0.33) | ESR2ALDH1A1NPC1RAB9A | |
| SCHEMBL2969288 | 0.77 | KDM4E (0.35) | ALDH1A1MAOBCYP2A6KDM4E | |
| SCHEMBL2963190 | 0.76 | KDM4E (0.31) | MAOBKDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7767818-B2 | Hepatitis C inhibitor dipeptide analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-08-03 | — | — | US | disclosed |
| US-7763562-B2 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-07-27 | — | — | US | disclosed |
| US-7696242-B2 | Hepatitis C inhibitor peptide analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-13 | — | — | US | disclosed |
| US-20090156822-A1 | Hepatitis C Inhibitor Dipeptide Analogs | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-06-18 | — | — | US | disclosed |
| US-7511157-B2 | racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-31 | — | — | US | disclosed |
| US-20070135597-A1 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |
| WO-2006065809-A2 | HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-06-22 | — | — | WO | disclosed |
| US-20060019905-A1 | inhibitors of the hepatitis C virus NS3 protease; azalactone intermediate reacted with cycloalkylsulfonamide and decylization; urea or carbamate-terminated alkylglycine, hydroxyproline, cyclopropylglycine tripeptide | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-26 | — | — | 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 (3 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-20090156822-A1 | Hepatitis C Inhibitor Dipeptide Analogs | DPP3, CTSC, ANPEP | AKR1C3 773/4885AKR1C2 1891/4885AKR1C1 1582/4885 |
| US-20070135597-A1 | Heteroatom bridged metallocene compounds for olefin polymerization | AP2M1, AP1M1, PYM1 | AKR1C3 3611/4885AKR1C2 3868/4885AKR1C1 4022/4885 |
| US-20060019905-A1 | inhibitors of the hepatitis C virus NS3 protease; azalactone intermediate reacted with cycloalkylsulfonamide and decylization; urea or carbamate-terminated alkylglycine, hydroxyproline, cyclopropylglycine tripeptide | CPN1, HPN, CTSC | AKR1C3 1276/4885AKR1C2 1760/4885AKR1C1 1525/4885 |
“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.