Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 8/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | ABL2 | P42684 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6427797 | 0.88 | TBXAS1 (0.41) | TBXAS1CYP19A1ACACBLMNASMN1; SMN2 | |
| SCHEMBL5735722 | 0.84 | TBXAS1 (0.49) | TBXAS1CYP11B1CYP11B2CYP19A1ABL1 | |
| SCHEMBL5735621 | 0.83 | TBXAS1 (0.50) | TBXAS1CYP11B1CYP11B2CYP19A1 | |
| SCHEMBL7984143 | 0.80 | TBXAS1 (0.50) | TBXAS1CYP11B1CYP11B2CYP19A1ABL1 | |
| SCHEMBL5737544 | 0.79 | TBXAS1 (0.54) | TBXAS1CYP11B1CYP11B2CYP19A1ABL1 | |
| SCHEMBL29239307 | 0.76 | TBXAS1 (0.66) | TBXAS1CYP11B1CYP11B2CYP19A1LMNA | |
| SCHEMBL5737255 | 0.76 | CYP11B1 (0.54) | CYP11B1CYP11B2CYP19A1ATM | |
| SCHEMBL5736555 | 0.74 | CYP11B1 (0.57) | CYP11B1CYP11B2CYP19A1ATM | |
| SCHEMBL5735891 | 0.74 | TBXAS1 (0.47) | TBXAS1CYP11B1CYP11B2CYP19A1ACACB | |
| SCHEMBL7711978 | 0.71 | PTGS1 (0.36) | ACACBLMNA |
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 |