Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | WNT3A | P56704 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL1124174 | 1.00 | AOC3 (0.50) | AOC3MAPTCYP1A2CYP2C19CYP11B1 | |
| SCHEMBL1124207 | 0.87 | SMN1; SMN2 (0.52) | AOC3MAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL1124201 | 0.87 | SMN1; SMN2 (0.52) | AOC3MAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL1124111 | 0.77 | AOC3 (0.60) | AOC3MAPTCYP1A2CYP2C19CYP11B1 | |
| SCHEMBL23683819 | 0.74 | AOC3 (0.62) | AOC3MAPTCYP1A2CYP2C19CYP11B1 | |
| SCHEMBL30475671 | 0.74 | AOC3 (0.62) | AOC3MAPTCYP1A2CYP2C19CYP11B1 | |
| SCHEMBL1124170 | 0.74 | SMN1; SMN2 (0.62) | AOC3MAPTCYP1A2CYP2C19CYP11B1 | |
| Hydrochloric Acid SCHEMBL20424596 | 0.73 | AOC3 (0.60) | AOC3MAPTCYP1A2CYP2C19CYP11B1 | |
| SCHEMBL20424591 | 0.73 | AOC3 (0.60) | AOC3MAPTCYP1A2CYP2C19CYP11B1 | |
| SCHEMBL2338228 | 0.71 | AKR1C3 (0.50) | MAPTKMT2AMEN1SMN1; SMN2LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | claimed |
| EP-2282996-A1 | TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS | Actelion Pharmaceuticals Ltd. (CH) | 2011-02-16 | — | — | EP | disclosed |