Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 2/20 | 0.38 |
| ▸ | HTR1B | P28222 | 2/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8659052 | 0.83 | SMN1; SMN2 (0.43) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15245742 | 0.73 | SMN1; SMN2 (0.61) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL853660 | 0.72 | CYP2D6 (0.60) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13041745 | 0.71 | MTNR1A (0.58) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4619391 | 0.70 | CYP2D6 (0.64) | CYP1A2CYP3A4CYP2D6MTNR1AMTNR1B | |
| SCHEMBL392573 | 0.70 | SMN1; SMN2 (0.85) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8662836 | 0.68 | HTR1D (0.68) | HTR1DHTR1B | |
| SCHEMBL21384325 | 0.68 | MTNR1A (0.61) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4347613 | 0.68 | NQO2 (0.61) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Oxalic Acid SCHEMBL8660714 | 0.67 | HTR1D (0.67) | HTR1DHTR1B |
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 |