Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 7/20 | 0.46 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.43 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6427149 | 0.88 | TBXAS1 (0.45) | TBXAS1FTOCYP19A1ALKCYP11B1 | |
| SCHEMBL5735862 | 0.86 | TBXAS1 (0.46) | TBXAS1FTOCYP19A1CYP11B1CYP11B2 | |
| SCHEMBL5735891 | 0.78 | TBXAS1 (0.47) | TBXAS1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL6427797 | 0.78 | TBXAS1 (0.41) | TBXAS1CYP19A1AGTR2 | |
| SCHEMBL6427152 | 0.73 | TBXAS1 (0.35) | TBXAS1CYP19A1 | |
| SCHEMBL7984143 | 0.72 | TBXAS1 (0.50) | TBXAS1FTOCYP19A1CYP11B1CYP11B2 | |
| SCHEMBL5735722 | 0.69 | TBXAS1 (0.49) | TBXAS1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL28416685 | 0.68 | CYP19A1 (0.76) | TBXAS1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL6427623 | 0.68 | TBXAS1 (0.44) | TBXAS1CYP19A1CYP11B1CYP11B2AGTR2 | |
| SCHEMBL15614465 | 0.67 | CYP11B1 (0.64) | TBXAS1CYP19A1CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6855512-B2 | Methods for identifying inhibitors of cytochrome P450RAI | ALLERGAN, INC. (US) | 2005-02-15 | — | — | US | disclosed |
| US-6369225-B1 | ENZYME INHIBITORS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6369261-B1 | CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6303785-B1 | SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES | ALLERGAN SALES, INC. | 2001-10-16 | — | — | US | disclosed |