Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13036103 | 0.78 | HTR4 (0.54) | CYP2C9HTR4MEN1ALDH1A1CYP3A4 | |
| SCHEMBL7291933 | 0.76 | HTR4 (0.61) | GSK3BCYP2C9HTR4MEN1CYP3A4 | |
| SCHEMBL7302280 | 0.76 | CYP2C9 (0.66) | GSK3BCYP2C9HTR4MEN1ALDH1A1 | |
| SCHEMBL7303858 | 0.73 | HTR4 (0.69) | CYP2C9HTR4MEN1ALDH1A1CYP3A4 | |
| SCHEMBL4294889 | 0.70 | HTR4 (0.61) | ACHECYP2C9HTR4MEN1ALDH1A1 | |
| SCHEMBL25554328 | 0.70 | HTR1D (0.42) | ACHE | |
| SCHEMBL7313709 | 0.70 | CYP2C9 (0.53) | GSK3BCYP2C9HTR4MEN1ALDH1A1 | |
| SCHEMBL9518810 | 0.69 | HTR1D (0.71) | CYP2C9CYP3A4CYP2D6CYP1A2 | |
| Hydrochloric Acid SCHEMBL9773080 | 0.69 | HTR1D (0.70) | CYP2C9CYP3A4CYP2D6CYP1A2NPSR1 | |
| SCHEMBL25246596 | 0.68 | HTR5A (0.41) | ACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-0501322-B1 | 3-Piperidinylmethylcarboxylate substituted indoles | GLAXO GROUP LTD (GB) | 1996-09-04 | — | — | EP | claimed |