Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 3/20 | 0.48 |
| ▸ | DRD3 | P35462 | 3/20 | 0.48 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | DRD5 | P21918 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8520779 | 0.92 | DRD4 (0.51) | RAB9ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8916879 | 0.89 | RAB9A (0.60) | RAB9ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8915325 | 0.84 | RAB9A (0.55) | RAB9ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8412992 | 0.84 | NPC1 (0.60) | RAB9ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8812118 | 0.84 | RAB9A (0.44) | RAB9ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8915135 | 0.84 | RAB9A (0.54) | RAB9ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8915606 | 0.84 | RAB9A (0.69) | RAB9ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7812118 | 0.82 | NPC1 (0.56) | RAB9ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7807341 | 0.82 | NPC1 (0.58) | RAB9ACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8914004 | 0.82 | NPC1 (0.58) | RAB9ACYP1A2CYP2D6CYP2C9CYP2C19 |
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-5922720-A | PHARMACEUTICAL FOR USE IN TREATMENT OF DISEASES BASED ON HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1999-07-13 | — | — | US | disclosed |