Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | SORD | Q00796 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 1/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.37 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.37 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11624430 | 0.99 | HRH4 (0.51) | HRH4CYP2A6DRD3HTR2CACHE | |
| Hydrochloric Acid SCHEMBL11626166 | 0.99 | HRH4 (0.51) | HRH4CYP2A6DRD3HTR2CACHE | |
| SCHEMBL11623961 | 0.86 | CYP3A4 (0.43) | HRH4CYP2A6DRD3HTR2CF12 | |
| SCHEMBL11628195 | 0.85 | DRD3 (0.48) | HRH4CYP2A6DRD3HTR2CACHE | |
| SCHEMBL11626044 | 0.85 | DRD3 (0.45) | HRH4CYP2A6DRD3HTR2CPLAU | |
| SCHEMBL11624788 | 0.85 | CYP2A6 (0.41) | HRH4CYP2A6DRD3HTR2CACHE | |
| SCHEMBL11623291 | 0.83 | DRD3 (0.47) | DRD3 | |
| SCHEMBL11623116 | 0.81 | DRD3 (0.43) | HRH4CYP2A6DRD3SORDCYP3A4 | |
| Lithium Ion SCHEMBL11624427 | 0.81 | HRH4 (0.51) | HRH4CYP2A6DRD3HTR2CACHE | |
| SCHEMBL11626032 | 0.80 | OPRL1 (0.56) | DRD3ACHECYP3A4TSHRCYP2C19 |
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-4122180-A | Isoquinolines and anti-depressants containing them | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-10-24 | — | — | US | claimed |
| US-4122180-A | Isoquinolines and anti-depressants containing them | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-10-24 | — | — | US | disclosed |