Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8424904 | 0.85 | PIM1 (0.46) | CYP2C19HTR1AHTR2CPIM1MTNR1A | |
| SCHEMBL8664685 | 0.83 | SMN1; SMN2 (0.46) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8644915 | 0.79 | PIM1 (0.47) | SMN1; SMN2CYP2C9HTR1AHTR2CPIM1 | |
| SCHEMBL8650036 | 0.75 | HTR1A (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19HTR1A | |
| SCHEMBL8662360 | 0.73 | HTR1D (0.42) | HTR1AMAPTHTR1DHTR1BLMNA | |
| SCHEMBL8646055 | 0.73 | PIM1 (0.46) | HTR1AHTR2CPIM1MAPTADRA2C | |
| SCHEMBL8662842 | 0.71 | HTR1D (0.53) | HTR1AHTR2CPIM1HTR1DHTR1B | |
| SCHEMBL15245742 | 0.70 | SMN1; SMN2 (0.61) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Oxalic Acid SCHEMBL8659656 | 0.69 | HTR1D (0.54) | PIM1HTR1DHTR1B | |
| SCHEMBL853660 | 0.69 | CYP2D6 (0.60) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |