Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 14/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 14/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 3/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | RXRG | P48443 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
| ▸ | AKT1 | P31749 | 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 | |
|---|---|---|---|---|
| SCHEMBL23666705 | 0.93 | ESR1 (0.36) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL18948448 | 0.89 | NR1I2 (0.46) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL20414528 | 0.87 | AR (0.37) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL21125230 | 0.85 | AKR1C3 (0.43) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL21125000 | 0.85 | AKR1C3 (0.38) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL19003629 | 0.83 | CTSS (0.39) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL23666664 | 0.81 | AKR1C3 (0.34) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL21316565 | 0.79 | RXRA (0.34) | RXRARXRBRXRG | |
| SCHEMBL22783706 | 0.79 | RXRA (0.33) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL28411135 | 0.78 | AKR1C3 (0.42) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |