Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.55 |
| ▸ | AGXT | P21549 | 2/20 | 0.55 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 6/20 | 0.51 |
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP12 | P39900 | 1/20 | 0.49 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 2/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.45 |
| ▸ | RXRB | P28702 | 1/20 | 0.45 |
| ▸ | RXRG | P48443 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20267796 | 0.85 | CYP3A4 (0.58) | CYP3A4IDO1AGXTHCAR2MAOB | |
| SCHEMBL2659547 | 0.82 | ALDH1A1 (0.61) | CYP3A4IDO1AGXTHCAR2MAOB | |
| SCHEMBL7802209 | 0.82 | CYP3A4 (0.55) | CYP3A4IDO1AGXTHCAR2MAOB | |
| SCHEMBL25759197 | 0.81 | CYP3A4 (0.50) | CYP3A4IDO1AGXTHCAR2MAOB | |
| Butane SCHEMBL10801030 | 0.78 | HCAR2 (0.56) | CYP3A4IDO1AGXTHCAR2MAOB | |
| SCHEMBL27577784 | 0.78 | HCAR2 (0.64) | CYP3A4IDO1AGXTHCAR2MAOB | |
| SCHEMBL25758739 | 0.78 | ALDH1A1 (0.52) | CYP3A4IDO1AGXTHCAR2MAOB | |
| SCHEMBL10242013 | 0.77 | IDO1 (0.59) | IDO1AGXTMAOBMMP1MMP2 | |
| SCHEMBL11740218 | 0.77 | ALDH1A1 (0.56) | CYP3A4IDO1AGXTHCAR2MAOB | |
| SCHEMBL29883597 | 0.77 | HCAR2 (0.62) | CYP3A4IDO1AGXTHCAR2MAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0861245-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997019073-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |