Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | BRS3 | P32247 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL16260524 | 0.86 | ESR1 (0.38) | ESR1PIK3CDPIK3CAPIK3CBPI4KA | |
| SCHEMBL23872732 | 0.83 | ESR1 (0.40) | ESR1ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL10223944 | 0.83 | ESR1 (0.45) | ESR1ALDH1A1BRS3HRH3CYP4F2 | |
| SCHEMBL22242097 | 0.81 | CYP4F2 (0.43) | ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL25960057 | 0.80 | ESR1 (0.38) | ESR1HRH3CYP4F2CYP4A11NPC1 | |
| SCHEMBL14647730 | 0.79 | HRH3 (0.47) | PIK3CDPIK3CAPIK3CBPI4KAPI4KB | |
| SCHEMBL14903592 | 0.79 | ESR1 (0.42) | ESR1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL12776135 | 0.78 | ESR1 (0.41) | ESR1ALDH1A1BRS3HRH3CYP4F2 | |
| SCHEMBL7996077 | 0.78 | PIK3CD (0.41) | PIK3CDPIK3CAPIK3CBPI4KAPI4KB | |
| SCHEMBL29208092 | 0.78 | PIK3CD (0.44) | PIK3CDPIK3CAPIK3CBPI4KAPI4KB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9670172-B2 | Heterocyclic compounds and methods of use | MEDIVATION TECHNOLOGIES, INC. (US) | 2017-06-06 | — | — | US | disclosed |