Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4475971 | 0.82 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HSP90AA1HPGDHTT | |
| SCHEMBL5208590 | 0.82 | ALDH1A1 (0.42) | ALDH1A1PIK3CACYP3A4CA2HSP90AA1 | |
| SCHEMBL20077252 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HSP90AA1HPGDHTT | |
| SCHEMBL2655186 | 0.75 | CA2 (0.44) | ALDH1A1CYP3A4CA2HPGDHTT | |
| SCHEMBL9653150 | 0.74 | ALDH1A1 (0.60) | ALDH1A1CYP3A4HPGDHTTNPC1 | |
| SCHEMBL22615007 | 0.73 | ALDH1A1 (0.57) | ALDH1A1CA2HPGDHTTMAPT | |
| SCHEMBL3787476 | 0.73 | ALDH1A1 (0.51) | ALDH1A1CYP3A4HSP90AA1HPGDHTT | |
| SCHEMBL10213485 | 0.73 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HSP90AA1HPGDHTT | |
| SCHEMBL20060875 | 0.73 | ALDH1A1 (0.51) | ALDH1A1CYP3A4HSP90AA1HPGDHTT | |
| SCHEMBL30451635 | 0.73 | ALDH1A1 (0.51) | ALDH1A1CYP3A4HSP90AA1HPGDHTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0904079-B1 | ANTIDIABETIC AGENTS | MERCK & CO INC (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-0904079-A4 | — | — | 1999-05-06 | — | — | EP | disclosed |
| EP-0904079-A1 | ANTIDIABETIC AGENTS | Merck & Co., Inc. (US) | 1999-03-31 | — | — | EP | disclosed |
| US-5859051-A | ACETYLPHENOL DERIVATIVES | MERCK & CO., INC. (US) | 1999-01-12 | — | — | US | disclosed |
| WO-1997027857-A1 | ANTIDIABETIC AGENTS | MERCK & CO., INC. (US) | 1997-08-07 | — | — | WO | disclosed |