Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2850833 | 0.84 | KDM1A (0.48) | KMT2AALDH1A1MEN1 | |
| SCHEMBL3708001 | 0.83 | HTR2A (0.52) | DRD2HTR1AHTR2AHTR2CHTR7 | |
| SCHEMBL22800905 | 0.83 | SIGMAR1 (0.48) | KMT2AMAPTALDH1A1CYP2C19MEN1 | |
| SCHEMBL2379018 | 0.83 | THRB (0.52) | KMT2AHTR2AHTR2CMEN1MAPK1 | |
| SCHEMBL4572803 | 0.83 | SIGMAR1 (0.48) | KMT2AMAPTALDH1A1MEN1NPC1 | |
| SCHEMBL3712707 | 0.82 | MEN1 (0.59) | KMT2AMEN1 | |
| SCHEMBL28400351 | 0.82 | HDAC1 (0.51) | KMT2ADRD2MAPTALDH1A1CYP2C19 | |
| SCHEMBL4888594 | 0.81 | AOC3 (0.55) | — | |
| SCHEMBL23303996 | 0.81 | CHRM2 (0.46) | KMT2ADRD2ALDH1A1CYP2C19MEN1 | |
| SCHEMBL1576162 | 0.81 | PTPN2 (0.55) | MAPTPTPN2PTPN1PTPN6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5854247-A | Piperazine, piperidine and tetrahydropyridine derivatives useful as 5-HT1 recepter agonists | MERCK SHARP & DOHME LTD. (GB) | 1998-12-29 | — | — | US | disclosed |
| EP-0793661-A1 | PIPERAZINE, PIPERIDINE & TETRAHYDROPYRIDINE DERIVATIVES USEFUL AS 5-HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1997-09-10 | — | — | EP | disclosed |
| WO-1996016056-A1 | PIPERAZINE, PIPERIDINE & TETRAHYDROPYRIDINE DERIVATIVES USEFUL AS 5-HT1 RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-05-30 | — | — | WO | disclosed |