Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 5/20 | 0.41 |
| ▸ | HTR2C | P28335 | 5/20 | 0.41 |
| ▸ | HTR2B | P41595 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL10690881 | 0.73 | ALDH1A1 (0.55) | KDM4EALDH1A1HTR2AHTR2CHTR2B | |
| SCHEMBL31123655 | 0.65 | ATM (0.49) | KDM4EABCB1KMT2AMEN1 | |
| SCHEMBL7356879 | 0.65 | CDK8 (0.61) | KDM4EALDH1A1CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL9781645 | 0.65 | CYP1A2 (0.56) | KDM4EALDH1A1CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL3345442 | 0.64 | CYP1A2 (0.64) | KDM4EALDH1A1CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL10426074 | 0.64 | KMT2A (0.60) | KDM4EALDH1A1CYP3A4CYP2D6CYP1A2 | |
| Oxalic Acid SCHEMBL7274490 | 0.63 | CYP3A4 (0.67) | KDM4EALDH1A1CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL27572903 | 0.63 | CHRM5 (0.52) | KDM4EALDH1A1HTR2AHTR2CHTR2B | |
| SCHEMBL31157848 | 0.63 | CYP19A1 (0.77) | KDM4EALDH1A1CYP3A4CYP2D6CYP1A2 | |
| SCHEMBL16641094 | 0.63 | CYP19A1 (0.77) | KDM4EALDH1A1CYP3A4CYP2D6CYP1A2 |
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-0146271-A2 | Aralykyl (arylethynyl) aralkyl amines for use as vasodilators and antihypertensives | McNeilab, Inc. (US) | 1985-06-26 | — | — | EP | disclosed |