Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.56 |
| ▸ | HTR1A | P08908 | 4/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.56 |
| ▸ | DRD3 | P35462 | 4/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.56 |
| ▸ | DRD1 | P21728 | 3/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | KDM1A | O60341 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11685617 | 0.90 | KMT2A (0.53) | CYP2D6CHRM2HTR1ACHRM1ADRA1A | |
| SCHEMBL11686357 | 0.88 | MAPK1 (0.50) | CYP2D6CHRM2HTR1ACHRM1ADRA1A | |
| Hydrochloric Acid SCHEMBL11688575 | 0.87 | CYP2D6 (0.49) | CYP2D6CHRM2HTR1ACHRM1ADRA1A | |
| SCHEMBL11686271 | 0.87 | CYP2D6 (0.58) | CYP2D6CHRM2HTR1ACHRM1ADRA1A | |
| Perimetazine SCHEMBL29406905 | 0.87 | PTGS1 (0.62) | CYP2D6CHRM2HTR1ACHRM1ADRA1A | |
| Perimetazine SCHEMBL1037545 | 0.87 | PTGS1 (0.62) | CYP2D6CHRM2HTR1ACHRM1ADRA1A | |
| SCHEMBL11688791 | 0.85 | KDM1A (0.58) | CYP2D6CHRM2HTR1ACHRM1ADRA1A | |
| SCHEMBL14540176 | 0.85 | CYP2D6 (0.62) | CYP2D6CHRM2HTR1ACHRM1ADRA1A | |
| Hydrochloric Acid SCHEMBL11688226 | 0.76 | PTGS1 (0.47) | CYP2D6CHRM2HTR1ACHRM1ADRA1A | |
| Hydrochloric Acid SCHEMBL11685613 | 0.75 | KMT2A (0.58) | CYP2D6CHRM2HTR1ACHRM1ADRA1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4018922-A | NEUROLEPTICS, ANALGESICS, SPASMOLYTICS, AND ANTIHISTAMINES | ROUSSEL-UCLAF (FR) | 1977-04-19 | — | — | US | claimed |
| US-4018922-A | NEUROLEPTICS, ANALGESICS, SPASMOLYTICS, AND ANTIHISTAMINES | ROUSSEL-UCLAF (FR) | 1977-04-19 | — | — | US | disclosed |