Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RHEB | Q15382 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1036525 | 0.86 | HRH3 (0.46) | RHEBCA1CA2VCAM1CYP17A1 | |
| SCHEMBL28898976 | 0.79 | HRH3 (0.44) | HSD17B14KDM4EALDH1A1GLAGAA | |
| SCHEMBL26086659 | 0.76 | HSD17B14 (0.41) | HSD17B14NOS1NOS3KDM4EALDH1A1 | |
| SCHEMBL620757 | 0.76 | ALDH1A1 (0.47) | KDM4EALDH1A1GLAGAARHEB | |
| SCHEMBL1035242 | 0.76 | ALDH1A1 (0.47) | KDM4EALDH1A1GLAGAARHEB | |
| SCHEMBL26606901 | 0.76 | KMT2A (0.39) | KDM4EALDH1A1GLAGAARHEB | |
| SCHEMBL124083 | 0.73 | TDP1 (0.44) | KDM4EALDH1A1GLAGAARHEB | |
| SCHEMBL29374258 | 0.73 | PGK1 (0.46) | NOS1NOS3KDM4EALDH1A1GLA | |
| SCHEMBL22401517 | 0.73 | PGK1 (0.46) | NOS1NOS3KDM4EALDH1A1GLA | |
| SCHEMBL30908438 | 0.73 | KDM4E (0.45) | NOS1NOS3KDM4EALDH1A1CA1 |
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-2432779-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010135524-A1 | BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES | EXELIXIS, INC. (US) | 2010-11-25 | — | — | WO | disclosed |