Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.45 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.45 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7433203 | 0.82 | PLOD2 (0.51) | PLOD2PLOD3PLOD1ALDH1A1KMT2A | |
| Propyl 4-Pyridyl Ketone SCHEMBL4952700 | 0.77 | HSD17B3 (0.61) | CYP1A2CYP2C19PLOD2PLOD3PLOD1 | |
| SCHEMBL2330432 | 0.74 | CYP1A2 (0.60) | CYP1A2CYP2C19PLOD2PLOD3PLOD1 | |
| SCHEMBL16373727 | 0.72 | CYP2C19 (0.57) | CYP1A2CYP2C19PLOD2PLOD3PLOD1 | |
| SCHEMBL17788483 | 0.71 | ALDH1A1 (0.52) | CYP1A2CYP2C19PLOD2PLOD3PLOD1 | |
| SCHEMBL9565304 | 0.71 | RAB9A (0.47) | HPGDALDH1A1KMT2AHDAC3HDAC1 | |
| SCHEMBL7220547 | 0.71 | HSD17B3 (0.63) | CYP1A2CYP2C19PLOD2PLOD3PLOD1 | |
| Hydrochloric Acid SCHEMBL9565311 | 0.70 | PREP (0.39) | CYP1A2CYP3A4CYP2D6HPGDALDH1A1 | |
| SCHEMBL2758612 | 0.70 | SMN1; SMN2 (0.63) | CYP1A2CYP2C19CYP3A4CYP2D6HPGD | |
| Ethyl 4-Pyridylketone SCHEMBL805505 | 0.69 | PLOD2 (0.57) | CYP1A2CYP2C19PLOD2PLOD3PLOD1 |
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-5278161-A | Racemic mixtures | HOFFMANN-LA ROCHE INC. (US) | 1994-01-11 | — | — | US | disclosed |