Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CETP | P11597 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ANPEP | P15144 | 3/20 | 0.44 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.44 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20626773 | 0.78 | TSHR (0.62) | TSHRCYP2D6POLBCETPCA12 | |
| SCHEMBL6030731 | 0.77 | TSHR (0.88) | TSHRCYP2D6POLBCETPCA12 | |
| SCHEMBL1101314 | 0.77 | TSHR (0.67) | TSHRCYP2D6POLBCETPCA12 | |
| SCHEMBL28543472 | 0.75 | TSHR (0.64) | TSHRCYP2D6POLBCETPCA12 | |
| SCHEMBL2517900 | 0.75 | TSHR (0.84) | TSHRCYP2D6POLBCETPCA12 | |
| SCHEMBL3874444 | 0.75 | CYP2D6 (0.57) | TSHRCYP2D6POLBCETPCA12 | |
| Phosphoric Acid SCHEMBL412030 | 0.74 | TSHR (0.61) | TSHRCYP2D6POLBCA12CA1 | |
| SCHEMBL3862229 | 0.74 | TSHR (0.62) | TSHRCYP2D6POLBCETPCA12 | |
| SCHEMBL28103039 | 0.74 | TSHR (0.62) | TSHRCYP2D6POLBCETPCA12 | |
| SCHEMBL11775231 | 0.74 | TSHR (0.62) | TSHRCYP2D6POLBCETPCA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0915704-A1 | USE OF PHOSPHINYLOXYALKYL AND PHOSPHONAMIDOALKYL DERIVATIVES OF CYCLOPENTANE(ENE) AS THERAPEUTIC AGENTS | Vision Pharmaceuticals L.P. (US) | 1999-05-19 | — | — | EP | disclosed |
| WO-1997037666-A1 | USE OF PHOSPHINYLOXYALKYL AND PHOSPHONAMIDOALKYL DERIVATIVES OF CYCLOPENTANE(ENE) AS THERAPEUTIC AGENTS | ALLERGAN SALES, INC. (US) | 1997-10-16 | — | — | WO | disclosed |
| US-5658897-A | MUSCLE RELAXANTS AND OCULAR HYPOTENSIVE AGENTS | ALLERGAN (US) | 1997-08-19 | — | — | US | disclosed |