Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CCR2 | P41597 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | LSS | P48449 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8569491 | 1.00 | CYP2C9 (0.40) | CYP2C9CCR2ALDH1A1MAPTLMNA | |
| SCHEMBL8567902 | 0.91 | CYP2C9 (0.53) | CYP2C9CCR2ALDH1A1MAPTLMNA | |
| SCHEMBL8567900 | 0.91 | CYP2C9 (0.53) | CYP2C9CCR2ALDH1A1MAPTLMNA | |
| SCHEMBL12566105 | 0.90 | CYP2C9 (0.43) | CYP2C9CCR2ALDH1A1MAPTLMNA | |
| SCHEMBL8027355 | 0.90 | CYP2C9 (0.43) | CYP2C9CCR2ALDH1A1MAPTLMNA | |
| SCHEMBL8572819 | 0.89 | CYP2C9 (0.45) | CYP2C9CCR2ALDH1A1MAPTLMNA | |
| SCHEMBL8572821 | 0.89 | CYP2C9 (0.45) | CYP2C9CCR2ALDH1A1MAPTLMNA | |
| SCHEMBL8570193 | 0.88 | CYP2C9 (0.44) | CYP2C9CCR2ALDH1A1MAPTLMNA | |
| SCHEMBL8570189 | 0.88 | CYP2C9 (0.44) | CYP2C9CCR2ALDH1A1MAPTLMNA | |
| SCHEMBL8047520 | 0.84 | CYP2C9 (0.42) | CYP2C9ALDH1A1MAPTLMNAMRGPRX4 |
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-5716543-A | GOOD TEMPERATURE BEHAVIOR OF NEMATIC PHASE; SOLUBILITY | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-02-10 | — | — | US | disclosed |