Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 6/20 | 0.34 |
| ▸ | NOS2 | P35228 | 5/20 | 0.34 |
| ▸ | NOS3 | P29474 | 5/20 | 0.34 |
| ▸ | TACR1 | P25103 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL445763 | 0.82 | TACR1 (0.44) | NOS1NOS2NOS3TACR1KCNH2 | |
| Hydrochloric Acid SCHEMBL787937 | 0.81 | TACR1 (0.43) | NOS1NOS2NOS3TACR1KCNH2 | |
| SCHEMBL7778331 | 0.77 | KDR (0.38) | NOS1NOS2NOS3TACR1TP53 | |
| SCHEMBL806193 | 0.74 | NOS1 (0.49) | NOS1NOS2NOS3TACR1TSHR | |
| Hydrochloric Acid SCHEMBL787716 | 0.73 | NOS1 (0.50) | NOS1NOS2NOS3TACR1ATM | |
| SCHEMBL22028466 | 0.72 | TACR1 (0.52) | NOS1NOS2NOS3TACR1KCNH2 | |
| SCHEMBL15077165 | 0.70 | KCNH2 (0.51) | NOS1NOS2NOS3TACR1KCNH2 | |
| SCHEMBL10104415 | 0.67 | TACR1 (0.45) | NOS1NOS2NOS3TACR1KCNH2 | |
| SCHEMBL2793246 | 0.65 | TAAR1 (0.41) | NOS1NOS3TACR1TSHRMAPK1 | |
| SCHEMBL788092 | 0.65 | TACR1 (0.40) | TACR1CYP2D6TSHRSLC6A2MAPK1 |
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-1144397-A3 | HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP | Wyeth (US) | 2002-09-11 | — | — | EP | disclosed |
| EP-1144397-A2 | HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000034258-A2 | HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |