Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | METAP1 | P53582 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28348680 | 0.96 | CYP1A2 (0.39) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10405440 | 0.86 | RAB9A (0.35) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30572829 | 0.85 | CYP3A4 (0.52) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8666976 | 0.85 | HSD17B10 (0.44) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3272054 | 0.84 | NR1H2 (0.40) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL175636 | 0.82 | CYP1A2 (0.47) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3264578 | 0.81 | S1PR1 (0.36) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3264257 | 0.81 | CYP1A2 (0.36) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10406170 | 0.80 | IDO1 (0.33) | METAP1GAACRHR1CHRM2CHRM4 | |
| SCHEMBL25434800 | 0.80 | PGR (0.35) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 |
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-20100069240-A1 | THERMAL RECORDING MATERIAL | MITSUBISHI PAPER MILLS LIMITED (JP) | 2010-03-18 | — | — | US | disclosed |