Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.56 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.50 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CTSG | P08311 | 1/20 | 0.42 |
| ▸ | CMA1 | P23946 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL7281103 | 0.91 | PARP1 (0.50) | PIN1ITGB3ITGA2BHPGDALOX15 | |
| SCHEMBL9829783 | 0.88 | ITGB3 (0.49) | PIN1ITGB3ITGA2BACECYP1A2 | |
| SCHEMBL9829792 | 0.88 | ITGB3 (0.49) | PIN1ITGB3ITGA2BACECYP1A2 | |
| Carnosine SCHEMBL1161010 | 0.85 | ITGB3 (0.41) | PIN1ITGB3ITGA2BACE | |
| Carnosine SCHEMBL33768 | 0.85 | ITGB3 (0.41) | PIN1ITGB3ITGA2BACE | |
| Carnosine SCHEMBL3904964 | 0.85 | ITGB3 (0.41) | PIN1ITGB3ITGA2BACE | |
| Carnosine SCHEMBL33769 | 0.85 | ITGB3 (0.41) | PIN1ITGB3ITGA2BACE | |
| Carnosine SCHEMBL134705 | 0.84 | ITGB3 (0.40) | PIN1ITGB3ITGA2BACE | |
| Carnosine SCHEMBL1641133 | 0.84 | ITGB3 (0.40) | PIN1ITGB3ITGA2BACE | |
| Carnosine SCHEMBL11033195 | 0.84 | ITGB3 (0.40) | PIN1ITGB3ITGA2BACE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4609641-A | HYPOTENSIVE, ANTIALDOSTERONE | MERCK & CO., INC. (US) | 1986-09-02 | — | — | US | disclosed |