Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PPM1B | O75688 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31370678 | 1.00 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2APPM1BPTPN1 | |
| SCHEMBL7907151 | 1.00 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2APPM1BPTPN1 | |
| SCHEMBL18627981 | 1.00 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2APPM1BPTPN1 | |
| SCHEMBL18740467 | 1.00 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2APPM1BPTPN1 | |
| SCHEMBL1297228 | 1.00 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2APPM1BPTPN1 | |
| Ethylene Glycol SCHEMBL1296443 | 0.95 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2APPM1BPTPN1 | |
| SCHEMBL31196227 | 0.92 | PPM1B (0.47) | ALDH1A1MEN1KMT2APPM1BPTPN1 | |
| SCHEMBL29254271 | 0.92 | PPM1B (0.47) | ALDH1A1MEN1KMT2APPM1BPTPN1 | |
| SCHEMBL22816571 | 0.92 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL1169921 | 0.92 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015125785-A1 | PYRAZOLONE DERIVATIVE HAVING MULTIPLE SUBSTITUENTS | 第一三共株式会社 | 2015-08-27 | — | — | WO | disclosed |
| US-6210956-B1 | USED AS CHIRAL PRECURSORS FOR NON-NATURALLY OCCURING AMINO ACIDS AND POLYESTER; CONTACTING A 1,3-CYCLOHEXANEDICARBOXYLIC ACID DIESTER DERIVATIVE WITH A LIPASE CAPABLE OF CONVERTING IT UNDER AQUEOUS CONDITIONS | EASTMAN CHEMICAL COMPANY | 2001-04-03 | — | — | US | disclosed |
| US-6028213-A | BY CONTACTING WITH A LIPASE UNDER AQUEOUS CONDITIONS TO ENANTIOSELECTIVELY PRODUCE THE ACTIVATOR | EASTMAN CHEMICAL COMPANY (US) | 2000-02-22 | — | — | US | disclosed |