Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | LTA4H | P09960 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL10898516 | 0.91 | CYP1A2 (0.66) | HRH3CYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL30693944 | 0.87 | CYP1A2 (0.69) | HRH3CYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL23928199 | 0.87 | HRH3 (0.56) | HRH3CYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL873540 | 0.85 | CYP1A2 (0.62) | HRH3CYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL12844521 | 0.84 | HRH3 (0.80) | HRH3LTA4HKDM4E | |
| SCHEMBL1696516 | 0.83 | ALDH1A1 (0.59) | HRH3CYP1A2LTA4HCYP2D6KDM4E | |
| SCHEMBL8795720 | 0.83 | KEAP1 (0.62) | HRH3CYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL11261637 | 0.82 | CYP1A2 (0.68) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL9083580 | 0.81 | ALDH1A1 (0.57) | HRH3CYP1A2LTA4HCYP2D6KDM4E | |
| SCHEMBL25505298 | 0.81 | KCNH2 (0.70) | CYP1A2LTA4HCYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1732543-B1 | TETRACYCLIC CARBOLINE DERATIVES FOR INHIBITING ANGIOGENESIS | PTC THERAPEUTICS INC (US) | 2017-05-10 | — | — | EP | disclosed |