Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.74 |
| ▸ | HSP90AB1 | P08238 | 6/20 | 0.74 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.51 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7382138 | 0.86 | NUDT1 (0.66) | HSP90AA1HSP90AB1MAPK14CHRNA7NUDT1 | |
| SCHEMBL3950560 | 0.85 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1MAPK14CHRNA7NUDT1 | |
| SCHEMBL18672484 | 0.83 | HSP90AA1 (0.53) | HSP90AA1HSP90AB1MAPK14NUDT1 | |
| SCHEMBL7377883 | 0.80 | DHFR (0.49) | HSP90AA1HSP90AB1ADORA2AADORA1MEN1 | |
| SCHEMBL7380404 | 0.80 | HSP90AA1 (0.75) | HSP90AA1HSP90AB1PTPN1BACE1KDM4E | |
| SCHEMBL20400592 | 0.80 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1MAPK14CHRNA7NUDT1 | |
| SCHEMBL30400452 | 0.80 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1MAPK14CHRNA7NUDT1 | |
| Hydrochloric Acid SCHEMBL5749719 | 0.79 | DHFR (0.47) | HSP90AA1HSP90AB1ADORA2AADORA1MEN1 | |
| SCHEMBL15757710 | 0.78 | NUDT1 (0.78) | HSP90AA1HSP90AB1MAPK14CHRNA7NUDT1 | |
| SCHEMBL29044794 | 0.78 | NUDT1 (0.50) | HSP90AA1HSP90AB1MAPK14NUDT1ADORA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0459830-A1 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | claimed |
| EP-0459830-A1 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |