Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 2/20 | 0.81 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11625232 | 0.85 | DRD3 (0.74) | DRD3MEN1KMT2APOLBNCOA3 | |
| Hydrochloric Acid SCHEMBL11623731 | 0.84 | DRD3 (0.73) | DRD3KDM4EPKMALDH1A1MEN1 | |
| SCHEMBL11625964 | 0.83 | DRD3 (0.68) | DRD3CHRM2CYP3A4TSHRCYP2C19 | |
| SCHEMBL11625386 | 0.83 | DRD3 (0.68) | DRD3ACHECYP2D6CYP3A4TSHR | |
| SCHEMBL11627320 | 0.80 | DRD3 (0.64) | DRD3ALDH1A1LMNANCOA3 | |
| SCHEMBL11626032 | 0.79 | OPRL1 (0.56) | DRD3DRD2DRD4CHRM2ACHE | |
| SCHEMBL6543289 | 0.78 | OPRL1 (0.55) | DRD3CHRM2CHRM3CYP2D6CYP3A4 | |
| SCHEMBL8591800 | 0.70 | CHRM2 (0.53) | DRD3DRD2DRD4CHRM2CHRM3 | |
| SCHEMBL8623218 | 0.70 | MAPK1 (0.54) | DRD3DRD2DRD4CHRM2CHRM3 | |
| SCHEMBL8623458 | 0.68 | DRD2 (0.61) | DRD3DRD2DRD4CHRM2CHRM3 |
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-4122180-A | Isoquinolines and anti-depressants containing them | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-10-24 | — | — | US | disclosed |