Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | SCD | O00767 | 1/20 | 0.30 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.30 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.30 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5030066 | 0.77 | LTA4H (0.39) | LTA4HADORA2AADORA1HPGDSBRD4 | |
| SCHEMBL5270393 | 0.76 | IL2 (0.40) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL5271643 | 0.76 | IL2 (0.54) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL22188117 | 0.74 | PTGS2 (0.38) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL24243094 | 0.73 | LTA4H (0.39) | CYP2C9CYP2C19LTA4HADORA2AADORA1 | |
| SCHEMBL6259248 | 0.72 | KDM4E (0.53) | HPGDSHPGD | |
| SCHEMBL3462241 | 0.70 | USP9X (0.38) | LTA4HHPGDSBRD4 | |
| SCHEMBL20016442 | 0.69 | NOTUM (0.42) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL9912150 | 0.68 | CYP2E1 (0.50) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL100765 | 0.68 | HPGDS (0.46) | LTA4HADORA2AADORA1HPGDSPIN1 |
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-101316853-B | Benzothiazole and thiazolopyridine as SIRTUIN modulators | SIRTRIS PHARMACEUTICALS INC | 2014-09-24 | — | — | CN | disclosed |
| CN-103145738-A | Imidazo [2,1-b] thiayole derivatives as SIRTUIN modulating compounds | SIRTRIS PHARMACEUTICALS INC | 2013-06-12 | — | — | CN | disclosed |
| CN-101316853-A | Benzothiazole and thiazolopyridine as SIRTUIN modulators | SIRTRIS PHARMACEUTICALS INC (US) | 2008-12-03 | — | — | CN | disclosed |
| CN-101282761-A | Benzimidazole derivatives as SIRTUIN modulators | SIRTRIS PHARMACEUTICALS INC (US) | 2008-10-08 | — | — | CN | disclosed |
| CN-101282974-A | Benzimidazole derivatives as SIRTUIN modulators | SIRTRIS PHARMACEUTICALS INC (US) | 2008-10-08 | — | — | CN | disclosed |
| CN-101277963-A | Benzimidazole derivatives as SIRTUIN modulators | SIRTIS PHARMACEUTICALS INC (US) | 2008-10-01 | — | — | CN | disclosed |
| CN-101277965-A | Imidazo [2, 1-b ] thiazole derivatives as SIRTUIN modulating compounds | SIRTRIS PHARMACEUTICALS INC (US) | 2008-10-01 | — | — | CN | disclosed |