Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | VDR | P11473 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20129065 | 0.83 | CYP2D6 (0.49) | CYP2D6CYP1A2ALDH1A1HPGDNPSR1 | |
| SCHEMBL26090954 | 0.83 | KMT2A (0.51) | CYP2D6CYP1A2ALDH1A1HPGDNPSR1 | |
| SCHEMBL18253228 | 0.80 | CYP2D6 (0.42) | CYP2D6ALDH1A1HPGDNPSR1KMT2A | |
| SCHEMBL751833 | 0.80 | CYP2D6 (0.48) | CYP2D6CYP1A2ALDH1A1HPGDNPSR1 | |
| SCHEMBL26984856 | 0.78 | CYP2D6 (0.57) | CYP2D6CYP1A2SMN1; SMN2KMT2APKM | |
| SCHEMBL22125714 | 0.77 | CYP2D6 (0.49) | CYP2D6CYP1A2ALDH1A1HPGDNPSR1 | |
| SCHEMBL21682372 | 0.76 | CYP2D6 (0.49) | CYP2D6CYP1A2ALDH1A1HPGDNPSR1 | |
| SCHEMBL6114474 | 0.75 | GPR119 (0.47) | CYP2D6KMT2A | |
| SCHEMBL15472725 | 0.75 | GPR119 (0.47) | CYP2D6KMT2A | |
| SCHEMBL15472729 | 0.75 | GPR119 (0.47) | CYP2D6KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015116485-A1 | PYRAZOLE COMPOUNDS AS BTK INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-08-06 | — | — | WO | disclosed |