Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11587465 | 0.90 | TSHR (0.41) | TSHRALDH1A1IDO1OPRM1OPRL1 | |
| SCHEMBL17848454 | 0.87 | TACR1 (0.51) | TSHRALDH1A1OPRM1SLC6A2SLC6A3 | |
| SCHEMBL12049730 | 0.85 | SCN1A (0.49) | ALDH1A1OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL16026615 | 0.83 | TSHR (0.43) | TSHRALDH1A1IDO1OPRM1OPRL1 | |
| SCHEMBL18759587 | 0.82 | OPRM1 (0.60) | OPRM1OPRL1BCHE | |
| SCHEMBL12026445 | 0.81 | CYP2D6 (0.50) | ALDH1A1OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL27619185 | 0.81 | OPRL1 (0.39) | OPRM1OPRL1OPRD1OPRK1TDP1 | |
| SCHEMBL23705024 | 0.80 | ALDH1A1 (0.46) | TSHRALDH1A1TDP1SLC6A2SLC6A3 | |
| SCHEMBL9394266 | 0.80 | ALDH1A1 (0.40) | TSHRALDH1A1IDO1AGXTBCHE | |
| SCHEMBL11738902 | 0.79 | TSHR (0.39) | TSHRALDH1A1IDO1AGXTBCHE |
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 |