Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.33 |
| ▸ | MEN1 | O00255 | 6/20 | 0.33 |
| ▸ | HTT | P42858 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 7/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 7/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6770531 | 0.87 | MEN1 (0.40) | PTGS1KMT2AMEN1HTTLMNA | |
| SCHEMBL6776854 | 0.86 | PTGS1 (0.42) | PTGS1KDM5AKMT2AMEN1HTT | |
| SCHEMBL6771166 | 0.85 | OPRM1 (0.32) | KMT2AMEN1HTTLMNACYP1A2 | |
| SCHEMBL6771211 | 0.84 | MEN1 (0.34) | KMT2AMEN1HTTLMNACYP1A2 | |
| SCHEMBL6769818 | 0.83 | OPRM1 (0.34) | KMT2AMEN1HTTLMNACYP1A2 | |
| SCHEMBL6767179 | 0.83 | POLB (0.35) | KMT2AMEN1HTTLMNACYP1A2 | |
| SCHEMBL6766535 | 0.83 | DHODH (0.36) | KMT2AMEN1HTTLMNACYP1A2 | |
| SCHEMBL6777360 | 0.82 | OPRM1 (0.39) | KMT2AMEN1HTTLMNAALDH1A1 | |
| SCHEMBL6770382 | 0.81 | MEN1 (0.34) | KMT2AMEN1HTTLMNACYP1A2 | |
| SCHEMBL7488247 | 0.81 | OPRM1 (0.49) | PTGS1OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6716856-B1 | CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY | PHARMACIA & TUBJOHN SPA (IT) | 2004-04-06 | — | — | US | disclosed |
| EP-1177185-A1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000069846-A1 | 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-11-23 | — | — | WO | disclosed |