Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.44 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.44 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.44 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.44 |
| ▸ | NPY1R | P25929 | 2/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | NPY2R | P49146 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15038726 | 0.85 | CYP2C19 (0.49) | ALDH1A1LMNACYP2C9CYP2C19TSHR | |
| SCHEMBL8310068 | 0.83 | MEN1 (0.63) | ALDH1A1LMNACYP2C9CYP2C19TSHR | |
| SCHEMBL20438751 | 0.77 | CARM1 (0.66) | ALDH1A1LMNACYP2C9CYP2C19TSHR | |
| Bromide SCHEMBL11102143 | 0.76 | CARM1 (0.64) | ALDH1A1LMNACYP2C9CYP2C19TSHR | |
| SCHEMBL11294240 | 0.76 | MEN1 (0.61) | ALDH1A1LMNACYP2C9CYP2C19TSHR | |
| SCHEMBL12131750 | 0.75 | ERCC1 (0.70) | LMNACYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL14161643 | 0.74 | CA1 (0.55) | ALDH1A1LMNACYP2C9CYP2C19TSHR | |
| SCHEMBL11733691 | 0.74 | MEN1 (0.59) | ALDH1A1LMNACYP2C9CYP2C19TSHR | |
| SCHEMBL18232464 | 0.74 | TPSAB1 (0.61) | CYP2C9CYP2C19TSHRKMT2AERCC1 | |
| SCHEMBL13016660 | 0.74 | MEN1 (0.54) | ALDH1A1LMNACYP2C9CYP2C19TSHR |
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 |