Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ELANE | P08246 | 3/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.36 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31467462 | 0.82 | ALDH1A1 (0.41) | USP2KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL31467458 | 0.76 | ALDH1A1 (0.44) | USP2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3797706 | 0.73 | ADORA3 (0.41) | USP2KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL27163405 | 0.73 | ALDH1A1 (0.39) | KDM4EALDH1A1NPC1RAB9AELANE | |
| SCHEMBL6079387 | 0.73 | HCAR2 (0.38) | USP2KDM4EALDH1A1HPGDNPC1 | |
| SCHEMBL24318067 | 0.72 | TP53 (0.39) | USP2ALDH1A1HSD17B10NPC1RAB9A | |
| SCHEMBL22900489 | 0.71 | KMT2A (0.46) | USP2KDM4EALDH1A1HSD17B10NPC1 | |
| SCHEMBL27268665 | 0.71 | NPC1 (0.39) | KDM4EALDH1A1NPC1RAB9AELANE | |
| SCHEMBL26926692 | 0.71 | ADORA3 (0.37) | USP2KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL2362756 | 0.71 | KDM4E (0.40) | KDM4EALDH1A1HPGDHSD17B10NPC1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646355-A | Preparation method of 3-(hydroxymethyl)-1-methyl-pyrazole-5-formonitrile | 戊言医药科技（上海）有限公司 | 2016-06-08 | — | — | CN | claimed |
| CN-105646355-A | Preparation method of 3-(hydroxymethyl)-1-methyl-pyrazole-5-formonitrile | 戊言医药科技（上海）有限公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-105646355-A | Preparation method of 3-(hydroxymethyl)-1-methyl-pyrazole-5-formonitrile | 戊言医药科技（上海）有限公司 | 2016-06-08 | — | — | CN | disclosed |
| EP-0901488-B1 | 2,4-DIAMINOPYRIMIDINE DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2002-11-06 | — | — | EP | disclosed |
| EP-0901488-A1 | 2,4-DIAMINOPYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-17 | — | — | EP | disclosed |
| US-5866583-A | Substituted 2,4-diaminopyrimidines | HOFFMANN-LA ROCHE INC. (US) | 1999-02-02 | — | — | US | disclosed |
| WO-1997043277-A1 | 2,4-DIAMINOPYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-20 | — | — | WO | disclosed |