Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15986990 | 0.88 | USP2 (0.46) | CYP2C19ALDH1A1MAPK1CYP3A4HIF1A | |
| SCHEMBL25677360 | 0.84 | SMN1; SMN2 (0.48) | CYP2C19ALDH1A1MAPK1CYP3A4HIF1A | |
| SCHEMBL21757030 | 0.83 | OPRM1 (0.43) | CYP2C19ALDH1A1MAPK1OPRM1OPRL1 | |
| SCHEMBL5986519 | 0.81 | OPRM1 (0.54) | CYP2C19ALDH1A1MAPK1OPRM1OPRL1 | |
| SCHEMBL26832959 | 0.81 | ALDH1A1 (0.49) | CYP2C19ALDH1A1MAPK1OPRM1OPRL1 | |
| SCHEMBL19892203 | 0.80 | BTK (0.41) | KMT2A | |
| SCHEMBL15474354 | 0.80 | BTK (0.41) | KMT2A | |
| SCHEMBL18256186 | 0.80 | CYP3A4 (0.43) | CYP2C19ALDH1A1MAPK1OPRM1OPRL1 | |
| SCHEMBL18256121 | 0.80 | GRM5 (0.50) | ALDH1A1MAPK1MEN1KMT2ATSHR | |
| SCHEMBL26061746 | 0.79 | USP2 (0.42) | CYP2C19ALDH1A1MAPK1CYP3A4HIF1A |
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-2970300-B1 | HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2018-05-16 | — | — | EP | disclosed |