Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | HRH4 | Q9H3N8 | 9/20 | 0.51 |
| ▸ | DRD4 | P21917 | 5/20 | 0.51 |
| ▸ | DRD2 | P14416 | 4/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.42 |
| ▸ | HTR2A | P28223 | 4/20 | 0.42 |
| ▸ | HRH2 | P25021 | 3/20 | 0.42 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11099005 | 0.90 | HRH4 (0.52) | MAPK1HRH4DRD4DRD2ADRA2A | |
| SCHEMBL11106565 | 0.88 | MAPK1 (0.51) | MAPK1HRH4DRD4DRD2ADRA2A | |
| SCHEMBL11097974 | 0.82 | CYP1A2 (0.55) | MAPK1HRH4DRD4DRD2ADRA2A | |
| SCHEMBL123132 | 0.80 | MAPK1 (0.71) | MAPK1HRH4DRD4DRD2ADRA2A | |
| SCHEMBL9434183 | 0.77 | MAPK1 (1.00) | MAPK1HRH4DRD4DRD2ADRA2A | |
| SCHEMBL9434561 | 0.73 | MAPK1 (0.67) | MAPK1HRH4DRD4DRD2ADRA2A | |
| SCHEMBL11414467 | 0.71 | MAPK1 (0.59) | MAPK1HRH4DRD4DRD2ADRA2A | |
| SCHEMBL9433516 | 0.71 | MAPK1 (0.63) | MAPK1HRH4DRD4DRD2ADRA2A | |
| SCHEMBL32662869 | 0.70 | MAPK1 (0.58) | MAPK1HRH4DRD4DRD2ADRA2A | |
| SCHEMBL22077148 | 0.70 | MAPK1 (0.58) | MAPK1HRH4DRD4DRD2ADRA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0035749-B1 | HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | C.H. BOEHRINGER SOHN (DE) | 1984-06-06 | — | — | EP | disclosed |
| US-4313931-A | ANTIHISTAMINES, ANTISEROTONINE AGENTS, ANTIALLERGENS, BRONCHODILATOR AGENTS, ANTIANAPHYLACTIC AGENTS | BOEHRINGER INGELHEIM KG (DE) | 1982-02-02 | — | — | US | disclosed |
| EP-0035749-A1 | Heterocyclic compounds, their preparation and pharmaceutical compositions containing them | C.H. BOEHRINGER SOHN (DE) | 1981-09-16 | — | — | EP | disclosed |