Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 11/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.51 |
| ▸ | CDC42 | P60953 | 1/20 | 0.51 |
| ▸ | RAC1 | P63000 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | PRKCI | P41743 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3670299 | 0.89 | AKR1C3 (0.50) | AKR1C3AKR1C2PTGS2PTGS1CDC42 | |
| SCHEMBL28839385 | 0.83 | TUBB4A (0.46) | AKR1C3AKR1C2PTGS2PTGS1CDC42 | |
| SCHEMBL31036107 | 0.81 | PRKCI (0.52) | CYP1A2CYP2A6PRKCI | |
| SCHEMBL4399974 | 0.80 | PRKCI (0.55) | CYP2A6PRKCI | |
| SCHEMBL28458599 | 0.77 | PRKCI (0.56) | CYP2A6PRKCI | |
| SCHEMBL30238828 | 0.77 | PRKCI (0.56) | CYP2A6PRKCI | |
| SCHEMBL1916187 | 0.77 | PRKCI (0.56) | CYP2A6PRKCI | |
| SCHEMBL12714059 | 0.77 | ABCB11 (0.49) | CYP2A6PRKCI | |
| SCHEMBL12714056 | 0.77 | ABCB11 (0.49) | CYP2A6PRKCI | |
| SCHEMBL27382505 | 0.77 | L3MBTL1 (0.49) | AKR1C3AKR1C2PTGS2PTGS1CDC42 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101475526-B | Carboxylic acid derivatives inhibiting the binding of integrins to receptors thereof | TEXAS BIOTECHNOLOGY CORP | 2011-05-25 | — | — | CN | disclosed |
| CN-101475526-A | Carboxylic acid derivatives inhibiting the binding of integrins to receptors thereof | TEXAS BIOTECHNOLOGY CORP (US) | 2009-07-08 | — | — | CN | disclosed |
| CN-100491353-C | Carboxylic acid derivatives inhibiting the binding of integrins to their receptors | TEXAS BIOTECHNOLOGIES CORP (US) | 2009-05-27 | — | — | CN | disclosed |
| US-6972296-B2 | Carboxylic acid derivatives that inhibit the binding of integrins to their receptors | ENCYSIVE PHARMACEUTICALS INC. (US) | 2005-12-06 | — | — | US | disclosed |