Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | DRD1 | P21728 | 4/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
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 SCHEMBL10835659 | 0.99 | CYP1A2 (0.40) | CYP1A2ADRA1ADRD2DRD1CYP19A1 | |
| Hydrochloric Acid SCHEMBL10836205 | 0.87 | ADRA1A (0.48) | ADRA1ASIGMAR1ADRA1B | |
| Hydrochloric Acid SCHEMBL10835635 | 0.80 | ADRA1A (0.36) | ADRA1ASIGMAR1ADRA1B | |
| SCHEMBL10835986 | 0.78 | ADRA1B (0.44) | ADRA1ASIGMAR1ADRA1B | |
| Hydrochloric Acid SCHEMBL10835968 | 0.76 | ADRA1A (0.45) | CYP1A2ADRA1ADRD2DRD1CYP19A1 | |
| Hydrochloric Acid SCHEMBL10835610 | 0.73 | ADRA1B (0.47) | ADRA1ASIGMAR1ADRA1B | |
| Hydrochloric Acid SCHEMBL10505010 | 0.73 | ADRA1B (0.47) | ADRA1ASIGMAR1ADRA1B | |
| Hydrochloric Acid SCHEMBL10835604 | 0.73 | ADRA1B (0.47) | ADRA1ASIGMAR1ADRA1B | |
| Hydrochloric Acid SCHEMBL10835686 | 0.71 | ADRA1B (0.58) | ADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL10835408 | 0.71 | SIGMAR1 (0.38) | ADRA1ACYP19A1SIGMAR1ADRA1B |
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-4618683-A | Tetrahydro-6,7-dimethoxy-1H-benz[e]isoinodolines useful in the treatment of hypertension and as sedatives | ABBOTT LABORATORIES (US) | 1986-10-21 | — | — | US | disclosed |