Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 6/20 | 0.41 |
| ▸ | NOS3 | P29474 | 4/20 | 0.41 |
| ▸ | NOS2 | P35228 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3922142 | 0.76 | NOS1 (0.40) | NOS1NOS3NOS2TP53RECQL | |
| SCHEMBL9559207 | 0.73 | NOS1 (0.47) | NOS1NOS3NOS2ALDH1A1KMT2A | |
| SCHEMBL30074503 | 0.71 | NOS1 (0.50) | NOS1NOS3NOS2ALDH1A1KMT2A | |
| SCHEMBL145755 | 0.71 | NOS1 (0.50) | NOS1NOS3NOS2ALDH1A1KMT2A | |
| SCHEMBL3632426 | 0.67 | AKR1C3 (0.41) | NOS1NOS3NOS2TSHR | |
| Hydrochloric Acid SCHEMBL5474778 | 0.67 | NOS1 (0.39) | NOS1NOS3NOS2ADRA1A | |
| SCHEMBL16115899 | 0.66 | NOS1 (0.44) | NOS1NOS3NOS2 | |
| SCHEMBL5202902 | 0.66 | NOS1 (0.41) | NOS1NOS3NOS2ALDH1A1LMNA | |
| SCHEMBL441521 | 0.64 | NOS1 (0.39) | NOS1NOS3NOS2ALDH1A1DDB1 | |
| SCHEMBL5190243 | 0.63 | KDM1A (0.34) | TP53RECQLALDH1A1HTTTSHR |
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-1856126-A2 | CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES | Wyeth a Corporation of the State of Delaware (US) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006089053-A2 | CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES | WYETH (US) | 2006-08-24 | — | — | WO | disclosed |