Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28317271 | 0.87 | SIGMAR1 (0.33) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11558246 | 0.80 | SIGMAR1 (0.51) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27705364 | 0.78 | SIGMAR1 (0.53) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL104699 | 0.76 | SIGMAR1 (0.51) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL104186 | 0.76 | SIGMAR1 (0.51) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1934350 | 0.76 | SIGMAR1 (0.51) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27814773 | 0.76 | SIGMAR1 (0.56) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2435647 | 0.76 | DPP4 (0.49) | CYP2C19ALDH1A1 | |
| SCHEMBL104187 | 0.76 | SIGMAR1 (0.51) | SIGMAR1CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9677809 | 0.75 | MAPT (0.44) | SIGMAR1 |
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-5807857-A | Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists | MERCK SHARP & DOHME LTD. (GB) | 1998-09-15 | — | — | US | disclosed |
| EP-0759918-A1 | PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1997-03-05 | — | — | EP | disclosed |
| WO-1995032196-A1 | PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES OF INDOL-3-YLALKYL AS 5-HT1D-ALPHA AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1995-11-30 | — | — | WO | disclosed |