Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD1 | Q13393 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20129631 | 0.78 | PLD1 (0.54) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL6111509 | 0.72 | PLD1 (0.48) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL28715941 | 0.72 | PLD1 (0.48) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| Ammonia Solution, Strong SCHEMBL17926100 | 0.70 | PLD1 (0.96) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| Ammonia Solution, Strong SCHEMBL8745498 | 0.70 | PLD1 (0.96) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL7900 | 0.68 | PLD1 (1.00) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL29400889 | 0.68 | PLD1 (1.00) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL893565 | 0.68 | PLD1 (1.00) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL9394367 | 0.67 | PLD1 (0.38) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| Hydrochloric Acid SCHEMBL4165242 | 0.66 | PLD1 (0.96) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 |
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-0370560-B1 | Pharmaceutical composition containing 1-[mono- or bis (trifluoromethyl)-2-pyridinyl] piperazines | AKZO NV (NL) | 1994-01-12 | — | — | EP | disclosed |