Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | TEK | Q02763 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 4/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | CCR2 | P41597 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 3/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7778334 | 0.77 | NOS1 (0.34) | KDRTEKNOS1NOS2TACR1 | |
| SCHEMBL22028466 | 0.71 | TACR1 (0.52) | NOS1NOS2TACR1CCR2LMNA | |
| SCHEMBL15077165 | 0.69 | KCNH2 (0.51) | NOS1NOS2TACR1CCR2LMNA | |
| SCHEMBL10104415 | 0.66 | TACR1 (0.45) | NOS1NOS2TACR1CCR2NOS3 | |
| SCHEMBL445763 | 0.65 | TACR1 (0.44) | NOS1NOS2TACR1CCR2NOS3 | |
| SCHEMBL24071085 | 0.65 | CYP1A2 (0.48) | KDRTEKTACR1LMNAGAA | |
| SCHEMBL7866871 | 0.65 | GAA (0.44) | KDRTEKTACR1CCR2LMNA | |
| Hydrochloric Acid SCHEMBL787937 | 0.64 | TACR1 (0.43) | NOS1NOS2TACR1CCR2NOS3 | |
| SCHEMBL7645151 | 0.62 | GAA (0.44) | KDRTEKTACR1LMNAGAA | |
| SCHEMBL14117184 | 0.62 | KCNH2 (0.38) | TACR1CCR2LMNAGAACYP1A2 |
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 |