Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.53 |
| ▸ | MET | P08581 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | MERTK | Q12866 | 1/20 | 0.53 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | PYGL | P06737 | 4/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | FPR2 | P25090 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8285399 | 0.86 | ALDH1A1 (0.50) | GRM5EGFRERBB2METKDR | |
| SCHEMBL7857535 | 0.81 | MAPT (0.54) | GAACYP1A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL329840 | 0.81 | MAPT (0.54) | GAACYP1A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14087347 | 0.81 | GRM5 (0.52) | GRM5EGFRERBB2METKDR | |
| SCHEMBL21274424 | 0.78 | CCR1 (0.56) | NPC1RAB9AALDH1A1PYGL | |
| SCHEMBL21274426 | 0.78 | CCR1 (0.56) | NPC1RAB9AALDH1A1PYGL | |
| SCHEMBL4000977 | 0.77 | GRM5 (0.62) | GRM5EGFRERBB2METKDR | |
| SCHEMBL3210060 | 0.77 | MAPT (0.50) | GAASMN1; SMN2ALDH1A1FPR2MAPT | |
| SCHEMBL3210085 | 0.77 | MAPT (0.50) | GAASMN1; SMN2ALDH1A1FPR2MAPT | |
| SCHEMBL22449377 | 0.77 | GRM5 (0.80) | GRM5EGFRERBB2METKDR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7485625-B2 | Inhibitors of hepatitis C virus NS3/NS4a serine protease | SCHERING CORPORATION (US) | 2009-02-03 | — | — | US | disclosed |
| US-7485625-B2 | Inhibitors of hepatitis C virus NS3/NS4a serine protease | SCHERING CORPORATION (US) | 2009-02-03 | — | — | US | disclosed |
| WO-2005058821-A1 | INHIBITORS OF HEPATITIS C VIRUS NS3/NS4A SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-06-30 | — | — | WO | disclosed |