Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 12/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.72 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.72 |
| ▸ | THPO | P40225 | 2/20 | 0.72 |
| ▸ | MTOR | P42345 | 2/20 | 0.72 |
| ▸ | EBP | Q15125 | 2/20 | 0.72 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.72 |
| ▸ | TP53 | P04637 | 1/20 | 0.72 |
| ▸ | PKM | P14618 | 1/20 | 0.72 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.72 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | HTR1A | P08908 | 2/20 | 0.64 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.64 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL9053428 | 0.91 | DRD2 (0.74) | DRD2CYP3A4CYP2D6ABCB11TSHR | |
| SCHEMBL9053658 | 0.88 | DRD2 (0.82) | DRD2CYP3A4CYP2D6ABCB11TSHR | |
| SCHEMBL9050989 | 0.88 | DRD2 (0.77) | DRD2CYP3A4CYP2D6ABCB11TSHR | |
| SCHEMBL9053091 | 0.87 | DRD2 (0.84) | DRD2CYP3A4CYP2D6ABCB11TSHR | |
| SCHEMBL9051330 | 0.85 | DRD2 (0.77) | DRD2CYP3A4CYP2D6ABCB11TSHR | |
| SCHEMBL9053114 | 0.85 | DRD2 (0.73) | DRD2CYP3A4CYP2D6ABCB11TSHR | |
| SCHEMBL8986042 | 0.85 | DRD2 (1.00) | DRD2CYP3A4CYP2D6ABCB11TSHR | |
| SCHEMBL9053173 | 0.84 | DRD2 (0.82) | DRD2CYP3A4CYP2D6ABCB11TSHR | |
| Trifluperidol SCHEMBL120862 | 0.84 | CYP3A4 (1.00) | DRD2CYP3A4CYP2D6ABCB11TSHR | |
| Trifluperidol SCHEMBL29710906 | 0.84 | CYP3A4 (1.00) | DRD2CYP3A4CYP2D6ABCB11TSHR |
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-1996002250-A1 | HALOPERIDOL ANALOGS AND THE USE THEREOF | ACEA PHARMACEUTICALS INC. (US) | 1996-02-01 | — | — | WO | disclosed |