Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | DRD1 | P21728 | 12/20 | 0.59 |
| ▸ | DRD5 | P21918 | 5/20 | 0.59 |
| ▸ | DRD2 | P14416 | 5/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | THPO | P40225 | 2/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.58 |
| ▸ | GPR183 | P32249 | 1/20 | 0.58 |
| ▸ | APLNR | P35414 | 1/20 | 0.58 |
| ▸ | GLP1R | P43220 | 1/20 | 0.58 |
| ▸ | CX3CR1 | P49238 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL11110006 | 0.87 | DRD1 (0.64) | CYP2D6CYP3A4DRD1DRD5DRD2 | |
| Hydrochloric Acid SCHEMBL11107300 | 0.86 | DRD1 (0.65) | CYP2D6CYP3A4DRD1DRD5DRD2 | |
| SCHEMBL11111285 | 0.86 | CYP2D6 (0.60) | CYP2D6CYP3A4DRD1DRD5DRD2 | |
| SCHEMBL11112777 | 0.86 | CYP2D6 (0.81) | CYP2D6CYP3A4DRD1DRD5DRD2 | |
| SCHEMBL11939886 | 0.86 | CYP2D6 (0.81) | CYP2D6CYP3A4DRD1DRD5DRD2 | |
| SCHEMBL11114067 | 0.86 | DRD1 (0.60) | CYP2D6CYP3A4DRD1DRD5DRD2 | |
| SCHEMBL11103673 | 0.85 | DRD1 (0.64) | CYP2D6CYP3A4DRD1DRD5DRD2 | |
| SCHEMBL11103691 | 0.85 | DRD1 (0.67) | CYP2D6CYP3A4DRD1DRD5DRD2 | |
| SCHEMBL11107323 | 0.85 | DRD1 (0.61) | CYP2D6CYP3A4DRD1DRD5DRD2 | |
| SCHEMBL11566588 | 0.83 | DRD1 (0.68) | CYP2D6CYP3A4DRD1DRD5DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4477378-A | ANTIDEPRESSANTS, NEUROLEPTIC AGENTS | SCHERING CORP. (US) | 1984-10-16 | — | — | US | disclosed |