Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | HTR2B | P41595 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.51 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | NQO2 | P16083 | 3/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15095796 | 0.83 | HTR2A (0.51) | HTR2AHTR2CHTR2BCYP19A1CYP11B1 | |
| SCHEMBL22477091 | 0.83 | HTR2A (0.51) | HTR2AHTR2CHTR2BCYP19A1CYP11B1 | |
| SCHEMBL805378 | 0.83 | HTR2A (0.51) | HTR2AHTR2CHTR2BCYP19A1CYP11B1 | |
| SCHEMBL12593301 | 0.82 | HTR2C (0.66) | HTR2AHTR2CHTR2BCYP19A1CYP11B1 | |
| SCHEMBL13306294 | 0.82 | HTR2C (0.66) | HTR2AHTR2CHTR2BCYP19A1CYP11B1 | |
| SCHEMBL13306290 | 0.82 | HTR2C (0.66) | HTR2AHTR2CHTR2BCYP19A1CYP11B1 | |
| SCHEMBL9558526 | 0.77 | HTR2A (0.46) | HTR2AHTR2CHTR2BCYP19A1CYP11B1 | |
| SCHEMBL9717303 | 0.77 | HTR2A (0.46) | HTR2AHTR2CHTR2BCYP19A1CYP11B1 | |
| SCHEMBL2463469 | 0.77 | ACHE (0.60) | HTR2AHTR2CHTR2BCYP19A1CYP11B1 | |
| SCHEMBL269087 | 0.77 | ACHE (0.60) | HTR2AHTR2CHTR2BCYP19A1CYP11B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1366036-A2 | COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI | Allergan, Inc. (US) | 2003-12-03 | — | — | EP | disclosed |
| WO-2002018361-A2 | COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI | ALLERGAN, INC. (US) | 2002-03-07 | — | — | WO | disclosed |