Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.86 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.86 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.86 |
| ▸ | TSHR | P16473 | 2/20 | 0.86 |
| ▸ | THPO | P40225 | 2/20 | 0.86 |
| ▸ | MTOR | P42345 | 2/20 | 0.86 |
| ▸ | EBP | Q15125 | 2/20 | 0.86 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.86 |
| ▸ | TP53 | P04637 | 1/20 | 0.86 |
| ▸ | PKM | P14618 | 1/20 | 0.86 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.86 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.84 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.84 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.84 |
| ▸ | DRD2 | P14416 | 12/20 | 0.67 |
| ▸ | HTR1A | P08908 | 3/20 | 0.63 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.63 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.63 |
| ▸ | DRD3 | P35462 | 3/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Trifluperidol SCHEMBL120862 | 0.93 | CYP3A4 (1.00) | CYP3A4CYP2D6ABCB11TSHRTHPO | |
| Trifluperidol SCHEMBL29710906 | 0.93 | CYP3A4 (1.00) | CYP3A4CYP2D6ABCB11TSHRTHPO | |
| Trifluperidol SCHEMBL14973483 | 0.92 | PMP22 (1.00) | CYP3A4CYP2D6ABCB11TSHRTHPO | |
| Trifluperidol SCHEMBL316725 | 0.92 | PMP22 (1.00) | CYP3A4CYP2D6ABCB11TSHRTHPO | |
| Trifluperidol SCHEMBL28086762 | 0.87 | ABCB11 (0.88) | CYP3A4CYP2D6ABCB11TSHRTHPO | |
| Trifluperidol SCHEMBL5490310 | 0.86 | CYP3A4 (0.83) | CYP3A4CYP2D6ABCB11TSHRTHPO | |
| SCHEMBL9053345 | 0.85 | ABCB11 (0.85) | CYP3A4CYP2D6ABCB11TSHRTHPO | |
| SCHEMBL11373842 | 0.83 | ABCB11 (0.78) | CYP3A4CYP2D6ABCB11TSHRTHPO | |
| Trifluperidol SCHEMBL20606534 | 0.82 | DRD2 (0.71) | CYP3A4CYP2D6ABCB11TSHRTHPO | |
| Trifluperidol SCHEMBL5560653 | 0.82 | CYP2D6 (0.72) | CYP3A4CYP2D6ABCB11TSHRTHPO |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |
| EP-2699579-A1 | PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| EP-2699572-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | Origenis GmbH (DE) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143144-A1 | PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |
| WO-2012143143-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | ORIGENIS GMBH (DE) | 2012-10-26 | — | — | WO | disclosed |