Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 3/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.38 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MARS1 | P56192 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3597763 | 0.89 | MARS1 (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL3594733 | 0.86 | CXCR2 (0.44) | CYP2C9CYP2C19CYP1A2CYP2D6RAB9A | |
| SCHEMBL3599723 | 0.85 | CNR1 (0.42) | CYP3A4DPP4DPP8MDM4MDM2 | |
| SCHEMBL3595338 | 0.83 | PNMT (0.41) | DPP4DPP8LMNA | |
| SCHEMBL3595072 | 0.83 | DPP4 (0.46) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL3597273 | 0.82 | CXCR2 (0.40) | CYP2C9CYP2C19CYP1A2CYP2D6RAB9A | |
| SCHEMBL3599359 | 0.81 | CXCR2 (0.40) | CYP2C9CYP2C19CYP1A2CYP2D6RAB9A | |
| SCHEMBL3600935 | 0.81 | TP53 (0.45) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL3600919 | 0.81 | MDM4 (0.42) | CYP3A4DPP4DPP8MDM4MDM2 | |
| SCHEMBL3593028 | 0.80 | ALDH1A1 (0.44) | CYP3A4CYP2C19CRHR1DPP4DPP8 |
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-7728146-B2 | Enzyme inhibitors | PROBIODRUG AG (DE) | 2010-06-01 | — | — | US | claimed |