Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL1683860 | 0.74 | KMT2A (0.38) | ALDH1A1TSHRLMNA | |
| SCHEMBL2266164 | 0.74 | CYP2A6 (0.46) | CYP2A6ALDH1A1CYP19A1HTTCA12 | |
| SCHEMBL7385564 | 0.74 | CYP2A6 (0.46) | CYP2A6ALDH1A1CYP19A1HTTCA12 | |
| SCHEMBL30187789 | 0.72 | CYP19A1 (0.46) | CYP2A6ALDH1A1CYP19A1HTTCA12 | |
| SCHEMBL6077332 | 0.71 | CYP2A6 (0.43) | CYP2A6ALDH1A1CYP19A1HTTCA12 | |
| SCHEMBL6205272 | 0.71 | CYP2A6 (0.43) | CYP2A6ALDH1A1CYP19A1HTTCA12 | |
| SCHEMBL6205271 | 0.71 | CYP2A6 (0.43) | CYP2A6ALDH1A1CYP19A1HTTCA12 | |
| SCHEMBL27480613 | 0.69 | CYP2A6 (0.41) | CYP2A6ALDH1A1CYP19A1HTTCA12 | |
| SCHEMBL11032485 | 0.68 | KIF11 (0.46) | CYP2A6ALDH1A1CYP19A1CA12CA2 | |
| SCHEMBL18965803 | 0.68 | TSHR (0.48) | CYP2A6ALDH1A1CYP19A1HTTMAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1140913-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-10 | — | — | EP | disclosed |
| EP-1137632-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000034238-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |
| WO-2000034269-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |