Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.48 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.42 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL452072 | 1.00 | CYP2C9 (0.48) | CYP2C9P2RX3DGAT2MLYCDMEN1 | |
| SCHEMBL13187076 | 0.76 | CYP2C9 (0.36) | CYP2C9P2RX3DGAT2MLYCD | |
| SCHEMBL452073 | 0.74 | CYP2C9 (0.37) | CYP2C9P2RX3DGAT2MEN1KMT2A | |
| SCHEMBL347896 | 0.74 | CYP2C9 (0.38) | CYP2C9P2RX3DGAT2MLYCD | |
| SCHEMBL18066927 | 0.73 | PDE2A (0.41) | CYP2C9P2RX3DGAT2MLYCDPDE2A | |
| SCHEMBL346566 | 0.73 | PDE2A (0.41) | CYP2C9P2RX3DGAT2MLYCDPDE2A | |
| SCHEMBL416929 | 0.73 | CYP2C9 (0.43) | CYP2C9P2RX3DGAT2MEN1KMT2A | |
| SCHEMBL10191646 | 0.72 | CYP2C9 (0.39) | CYP2C9P2RX3DGAT2MLYCD | |
| Hydrochloric Acid SCHEMBL346689 | 0.72 | PDE2A (0.40) | CYP2C9P2RX3DGAT2MLYCDPDE2A | |
| SCHEMBL456756 | 0.71 | CYP2C9 (0.53) | CYP2C9P2RX3DGAT2CNR1 |
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-2215049-B1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME (US) | 2019-06-12 | — | — | EP | disclosed |