Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | TDO2 | P48775 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27537272 | 0.85 | IDO1 (0.49) | IDO1TDO2SLC6A4SLC6A2MEN1 | |
| SCHEMBL3485914 | 0.79 | SLC6A4 (0.41) | SLC6A4 | |
| SCHEMBL3520760 | 0.78 | SLC6A4 (0.49) | SLC6A4MEN1KMT2ACYP1A2PPARG | |
| SCHEMBL11853241 | 0.72 | LTA4H (0.50) | PPARGPPARA | |
| SCHEMBL28714942 | 0.68 | LTA4H (0.41) | SLC6A4SLC6A2SLC6A3CYP1A2PPARG | |
| SCHEMBL9676942 | 0.68 | LTA4H (0.41) | SLC6A4MEN1KMT2ACYP1A2PPARG | |
| SCHEMBL8446345 | 0.67 | IDO1 (0.50) | IDO1TDO2CYP1A2CYP2A6GBA1 | |
| SCHEMBL17319365 | 0.67 | SLC6A4 (0.49) | IDO1TDO2SLC6A4MEN1KMT2A | |
| SCHEMBL28267595 | 0.67 | SLC7A5 (0.52) | SLC6A4SLC6A2SLC6A3MEN1KMT2A | |
| SCHEMBL10497077 | 0.67 | TRPA1 (0.38) | SLC6A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6265434-B1 | ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. | 2001-07-24 | — | — | US | disclosed |