Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.55 |
| ▸ | MAPT | P10636 | 7/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.55 |
| ▸ | NPC1 | O15118 | 6/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 5/20 | 0.53 |
| ▸ | TP53 | P04637 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | STAT1 | P42224 | 1/20 | 0.50 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1742372 | 0.80 | PIN1 (1.00) | PIN1ALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL11421623 | 0.73 | ALDH1A1 (0.69) | PIN1ALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL4884228 | 0.71 | ALDH1A1 (0.77) | PIN1ALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL11546488 | 0.71 | PIN1 (0.64) | PIN1ALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL4887390 | 0.71 | PIN1 (0.63) | PIN1ALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL2070406 | 0.71 | NPC1 (1.00) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL5990085 | 0.70 | PIN1 (0.57) | PIN1ALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL10014193 | 0.70 | PIN1 (0.61) | PIN1ALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL762092 | 0.69 | MAPT (1.00) | PIN1ALDH1A1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL4896442 | 0.69 | ALDH2 (0.64) | PIN1ALDH1A1MAPTALDH2MAOA |
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 |