Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | KDM1A | O60341 | 2/20 | 0.59 |
| ▸ | HTR2C | P28335 | 3/20 | 0.58 |
| ▸ | DRD2 | P14416 | 3/20 | 0.58 |
| ▸ | HRH1 | P35367 | 3/20 | 0.58 |
| ▸ | HTR6 | P50406 | 2/20 | 0.58 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.58 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | DRD3 | P35462 | 2/20 | 0.58 |
| ▸ | HTR2B | P41595 | 2/20 | 0.58 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.58 |
| ▸ | DRD1 | P21728 | 1/20 | 0.58 |
| ▸ | ADRA1D | P25100 | 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL11746586 | 0.93 | CYP2D6 (0.57) | HTR2ACYP2D6CYP3A4CYP1A2KDM4E | |
| SCHEMBL11743885 | 0.92 | DRD2 (0.73) | HTR2ACYP2D6CYP3A4CYP1A2KDM4E | |
| SCHEMBL11750190 | 0.92 | DRD2 (0.70) | HTR2ACYP2D6CYP3A4CYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL11747251 | 0.91 | DRD2 (0.57) | HTR2ACYP2D6CYP3A4CYP1A2KDM4E | |
| Hydrochloric Acid SCHEMBL11749117 | 0.90 | DRD2 (0.71) | HTR2ACYP2D6CYP3A4CYP1A2KDM4E | |
| Duoperone SCHEMBL29694381 | 0.90 | FPR2 (0.70) | HTR2ACYP2D6CYP3A4CYP1A2KDM4E | |
| Duoperone SCHEMBL2109141 | 0.90 | FPR2 (0.70) | HTR2ACYP2D6CYP3A4CYP1A2KDM4E | |
| SCHEMBL9676172 | 0.89 | DRD2 (0.55) | HTR2ACYP2D6CYP3A4CYP1A2KDM4E | |
| SCHEMBL11749617 | 0.88 | DRD3 (0.65) | HTR2ACYP2D6CYP3A4CYP1A2KDM4E | |
| SCHEMBL11746095 | 0.86 | DRD3 (0.69) | HTR2ACYP2D6CYP3A4CYP1A2KDM4E |
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-4021552-A | TRANQUILIZERS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1977-05-03 | — | — | US | claimed |