Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | THPO | P40225 | 1/20 | 0.62 |
| ▸ | MTOR | P42345 | 1/20 | 0.62 |
| ▸ | EBP | Q15125 | 1/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.61 |
| ▸ | OPRL1 | P41146 | 10/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.55 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9052744 | 0.87 | DRD2 (0.59) | ABCB11TP53CYP3A4CYP2D6PKM | |
| SCHEMBL9055948 | 0.86 | DRD2 (0.51) | ABCB11TP53CYP3A4CYP2D6PKM | |
| SCHEMBL9052260 | 0.85 | OPRM1 (0.46) | ABCB11TP53CYP3A4CYP2D6PKM | |
| SCHEMBL9051376 | 0.84 | DRD2 (0.59) | ABCB11TP53CYP3A4CYP2D6PKM | |
| SCHEMBL9053424 | 0.84 | DRD2 (0.44) | ABCB11TP53CYP3A4CYP2D6PKM | |
| SCHEMBL9053432 | 0.84 | DRD2 (0.44) | ABCB11TP53CYP3A4CYP2D6PKM | |
| SCHEMBL8986025 | 0.83 | DRD2 (0.56) | SMN1; SMN2OPRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL9053069 | 0.83 | SMN1; SMN2 (0.51) | ABCB11TP53CYP3A4CYP2D6PKM | |
| SCHEMBL9051909 | 0.82 | ALDH1A1 (0.53) | SMN1; SMN2OPRL1OPRM1OPRK1OPRD1 | |
| SCHEMBL9053118 | 0.80 | HTR1A (0.46) | MAPK1SMN1; SMN2KDM4EALDH1A1MAPT |
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 |