Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 3/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | DRD4 | P21917 | 3/20 | 0.34 |
| ▸ | HRH2 | P25021 | 3/20 | 0.34 |
| ▸ | HTR1D | P28221 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.34 |
| ▸ | HTR2C | P28335 | 3/20 | 0.34 |
| ▸ | HTR7 | P34969 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7782591 | 0.89 | ADRB2 (0.42) | IDO1SLC6A3OPRL1ADRB2SLC6A4 | |
| SCHEMBL7782593 | 0.86 | IDO1 (0.42) | IDO1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7783271 | 0.82 | MAOB (0.39) | IDO1SLC6A3 | |
| SCHEMBL7865718 | 0.82 | PDE2A (0.42) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL7846362 | 0.79 | MAOB (0.40) | IDO1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7865721 | 0.78 | TAAR1 (0.45) | CYP3A4CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL7846359 | 0.78 | TP53 (0.43) | SLC6A3 | |
| SCHEMBL6819226 | 0.78 | ADRB2 (0.45) | IDO1PYCR1ADRB2S1PR1 | |
| SCHEMBL13877352 | 0.78 | ADRB2 (0.45) | IDO1PYCR1ADRB2S1PR1 | |
| Hydrochloric Acid SCHEMBL4229200 | 0.76 | IDO1 (0.46) | IDO1PYCR1ADRB2S1PR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144399-A3 | HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP | Wyeth (US) | 2002-09-11 | — | — | EP | disclosed |
| EP-1144399-A2 | HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000034261-A2 | HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |