Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | DAO | P14920 | 2/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22165081 | 0.86 | MEN1 (0.44) | MEN1KMT2AIDO1MPOSLC6A4 | |
| SCHEMBL24289637 | 0.86 | MEN1 (0.44) | MEN1KMT2AMPOSLC6A4 | |
| SCHEMBL25709303 | 0.81 | MEN1 (0.40) | MEN1KMT2AMPOSLC6A4 | |
| SCHEMBL28049281 | 0.80 | MEN1 (0.47) | MEN1KMT2AMPOSLC6A4 | |
| SCHEMBL31210245 | 0.79 | MEN1 (0.50) | MEN1KMT2AMPOSLC6A4THRB | |
| SCHEMBL2023893 | 0.79 | MEN1 (0.73) | MEN1KMT2AIDO1DAOSLC6A4 | |
| SCHEMBL5546168 | 0.76 | DAO (0.40) | IDO1DAOCYP17A1CYP21A2CYP11B1 | |
| SCHEMBL21728102 | 0.76 | IDO1 (0.38) | IDO1DAOCYP17A1CYP21A2CYP11B1 | |
| SCHEMBL4847285 | 0.76 | DAO (0.40) | IDO1DAOCYP17A1CYP21A2CYP11B1 | |
| SCHEMBL2023212 | 0.76 | MEN1 (0.52) | MEN1KMT2AIDO1TAAR1 |
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-4859779-A | ENZYME INHIBITORS | SMITHKLINE BECKMAN CORPORATION (US) | 1989-08-22 | — | — | US | disclosed |
| US-4837353-A | 2-/N-PHENYLALKYL-N-FORMYL/AMINO-3-HYDROXY-2-PROPENOIC ACID DERIVATIVES | SMITHKLINE BECKMAN CORPORATION (US) | 1989-06-06 | — | — | US | disclosed |
| EP-0284375-A1 | Dopamine-beta-hydroxylase inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1988-09-28 | — | — | EP | disclosed |
| US-4762850-A | Dopamine-beta-hydroxylase inhibitors | SMITHKLINE BECKMAN CORPORATION (US) | 1988-08-09 | — | — | US | disclosed |