Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7900693 | 1.00 | SIGMAR1 (0.40) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7701606 | 0.80 | HDAC8 (0.46) | CYP3A4HDAC1KCNH2 | |
| SCHEMBL8030831 | 0.77 | SIGMAR1 (0.46) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31284387 | 0.68 | TRPV1 (0.49) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9588693 | 0.67 | HRH1 (0.65) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9587455 | 0.67 | HRH1 (0.65) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12040597 | 0.67 | HRH1 (0.65) | SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31284828 | 0.67 | ALDH1A1 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7902060 | 0.67 | HRH4 (0.54) | SIGMAR1HRH4HRH2NAMPTSMN1; SMN2 | |
| SCHEMBL7898798 | 0.67 | HRH4 (0.54) | SIGMAR1HRH4HRH2NAMPTSMN1; SMN2 |
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-6197797-B1 | ANTICANCER AGENTS; SKIN DISORDERS | Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) | 2001-03-06 | — | — | US | disclosed |