Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPY1R | P25929 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.43 |
| ▸ | NPY2R | P49146 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | FCER2 | P06734 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15038484 | 0.85 | ALDH1A1 (0.50) | CYP2C19CYP2C9MEN1KMT2ANPY1R | |
| SCHEMBL14161643 | 0.76 | CA1 (0.55) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL20438751 | 0.70 | CARM1 (0.66) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL8310068 | 0.70 | MEN1 (0.63) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL14115004 | 0.69 | NPY1R (0.53) | NPY1RCPB2NPY2RNPY5RMMP1 | |
| Bromide SCHEMBL11102143 | 0.69 | CARM1 (0.64) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL21731734 | 0.69 | CA1 (0.72) | CYP2C19CYP2C9KMT2AALDH1A1TSHR | |
| SCHEMBL47280 | 0.69 | CA1 (0.72) | CYP2C19CYP2C9KMT2AALDH1A1TSHR | |
| SCHEMBL15514528 | 0.69 | MEN1 (0.73) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL11294240 | 0.68 | MEN1 (0.61) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 |
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-2604260-A1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | Shionogi&Co., Ltd. (JP) | 2013-06-19 | — | — | EP | disclosed |