Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 13/20 | 0.39 |
| ▸ | HTR1B | P28222 | 13/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8664685 | 0.84 | SMN1; SMN2 (0.46) | CYP2C19MTNR1AMTNR1BHTR1DHTR1B | |
| SCHEMBL8424904 | 0.81 | PIM1 (0.46) | HPGDCYP2C19GPR17MTNR1AMTNR1B | |
| Oxalic Acid SCHEMBL8660714 | 0.74 | HTR1D (0.67) | HTR1DHTR1B | |
| SCHEMBL8662836 | 0.73 | HTR1D (0.68) | HTR1DHTR1B | |
| SCHEMBL8644915 | 0.68 | PIM1 (0.47) | HPGDMTNR1AMTNR1BHTR1DHTR1B | |
| SCHEMBL1723364 | 0.67 | NPSR1 (0.72) | HPGDCYP2C19HTR1DHTR1BHTR7 | |
| SCHEMBL892530 | 0.66 | HPGD (0.69) | HPGDCYP2C19GPR17MTNR1AMTNR1B | |
| SCHEMBL31036156 | 0.66 | HPGD (0.69) | HPGDCYP2C19MTNR1AMTNR1BHTR1D | |
| SCHEMBL38652005 | 0.66 | HTR7 (0.74) | HPGDCYP2C19GPR17HTR1DHTR1B | |
| SCHEMBL1122319 | 0.66 | HPGD (0.69) | HPGDCYP2C19MTNR1AMTNR1BHTR1D |
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 |