Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 3/20 | 0.51 |
| ▸ | TNKS | O95271 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 4/20 | 0.49 |
| ▸ | DRD3 | P35462 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8520672 | 0.92 | RAB9A (0.49) | DRD4DRD2DRD3CYP3A4RAB9A | |
| SCHEMBL8916879 | 0.87 | RAB9A (0.60) | CYP3A4ALDH1A1ALOX15RAB9ACYP1A2 | |
| SCHEMBL8812118 | 0.83 | RAB9A (0.44) | CYP3A4ALDH1A1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL8915325 | 0.82 | RAB9A (0.55) | CYP3A4ALDH1A1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL8412992 | 0.82 | NPC1 (0.60) | CYP3A4ALDH1A1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL8915606 | 0.82 | RAB9A (0.69) | CYP3A4ALDH1A1ALOX15RAB9ACYP1A2 | |
| SCHEMBL8915135 | 0.82 | RAB9A (0.54) | CYP3A4RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7812340 | 0.80 | NPC1 (0.54) | CYP3A4ALDH1A1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL7812118 | 0.80 | NPC1 (0.56) | CYP3A4ALDH1A1ALOX15RAB9ACYP1A2 | |
| SCHEMBL7807341 | 0.80 | NPC1 (0.58) | CYP3A4ALDH1A1ALOX15RAB9ACYP1A2 |
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 |