Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 3/20 | 0.40 |
| ▸ | RHOA | P61586 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14392088 | 1.00 | CYP3A4 (0.51) | CYP3A4CES2CES1CYP2C19ALDH1A1 | |
| SCHEMBL7878160 | 0.84 | CYP3A4 (0.53) | CYP3A4CES2CES1CYP2C19ALDH1A1 | |
| SCHEMBL5356165 | 0.83 | MEN1 (0.46) | CYP3A4CYP2C19ALDH1A1TSHRHSD17B10 | |
| SCHEMBL2879779 | 0.82 | CYP3A4 (0.59) | CYP3A4CYP2C19ALDH1A1TSHRHSD17B10 | |
| SCHEMBL9230354 | 0.82 | CYP3A4 (0.55) | CYP3A4CYP2C19ALDH1A1TSHRHSD17B10 | |
| SCHEMBL6681242 | 0.81 | CYP3A4 (0.53) | CYP3A4CES2CES1CYP2C19ALDH1A1 | |
| SCHEMBL6681237 | 0.81 | CYP3A4 (0.53) | CYP3A4CES2CES1CYP2C19ALDH1A1 | |
| SCHEMBL10676559 | 0.79 | CYP3A4 (0.51) | CYP3A4CYP2C19ALDH1A1TSHRHSD17B10 | |
| SCHEMBL2879781 | 0.79 | CYP3A4 (0.56) | CYP3A4CYP2C19ALDH1A1TSHRHSD17B10 | |
| SCHEMBL10590388 | 0.79 | CYP3A4 (0.51) | CYP3A4CYP2C19ALDH1A1TSHRHSD17B10 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007124544-A1 | INTEGRASE INHIBITORS - 1 | AVEXA LIMITED (AU) | 2007-11-08 | — | — | WO | disclosed |
| WO-2007124545-A1 | INTEGRASE INHIBITORS - 2 | AVEXA LIMITED (AU) | 2007-11-08 | — | — | WO | disclosed |
| WO-2007124545-A1 | INTEGRASE INHIBITORS - 2 | AVEXA LIMITED (AU) | 2007-11-08 | — | — | WO | disclosed |
| EP-0617001-B1 | Phenoxyphenylacetic acid derivatives | MERCK & CO INC (US) | 2000-01-26 | — | — | EP | disclosed |
| US-5767310-A | Phenoxyphenylacetic acid derivatives | MERCK & CO., INC. (US) | 1998-06-16 | — | — | US | disclosed |
| EP-0774965-A4 | PHENOXYPHENYLACETIC ACID DERIVATIVES | MERCK & CO INC (US) | 1997-10-29 | — | — | EP | disclosed |
| US-5668176-A | ENDOTHELIN ANTAGONIST | MERCK & CO. INC. (US) | 1997-09-16 | — | — | US | disclosed |
| EP-0774965-A1 | PHENOXYPHENYLACETIC ACID DERIVATIVES | MERCK & CO. INC. (US) | 1997-05-28 | — | — | EP | disclosed |
| US-5565485-A | TREATING CARDIOVASCULAR DISORDERS | MERCK & CO., INC. (US) | 1996-10-15 | — | — | US | disclosed |
| WO-1996009818-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EMESIS | MERCK & CO., INC. (US) | 1996-04-04 | — | — | WO | disclosed |
| WO-1996004905-A1 | PHENOXYPHENYLACETIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1996-02-22 | — | — | WO | disclosed |
| WO-1994021590-A1 | PHENOXYPHENYLACETIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1994-09-29 | — | — | WO | disclosed |
| EP-0617001-A1 | Phenoxyphenylacetic acid derivatives | MERCK & CO. INC. (US) | 1994-09-28 | — | — | EP | disclosed |