Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.65 |
| ▸ | RAC1 | P63000 | 3/20 | 0.38 |
| ▸ | CDC42 | P60953 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | ACHE | P22303 | 6/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | BCHE | P06276 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ATP2A1 | O14983 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7812760 | 0.99 | MAPT (0.64) | MAPTCYP3A4RAC1CDC42ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7826957 | 0.79 | CYP3A4 (0.68) | MAPTCYP3A4ALDH1A1ACHEMAPK1 | |
| SCHEMBL179696 | 0.77 | MAPT (0.46) | MAPTCYP3A4ALDH1A1HPGDKMT2A | |
| SCHEMBL7826567 | 0.77 | MAPT (0.45) | MAPTCYP3A4RAC1CDC42ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7820109 | 0.76 | MAPT (0.44) | MAPTCYP3A4RAC1CDC42ALDH1A1 | |
| SCHEMBL7823305 | 0.75 | MAPT (0.68) | MAPTCYP3A4RAC1CDC42ALDH1A1 | |
| SCHEMBL198366 | 0.73 | CYP3A4 (0.53) | MAPTCYP3A4ALDH1A1MAPK1HPGD | |
| SCHEMBL128940 | 0.72 | MAPT (0.42) | MAPTCYP3A4ALDH1A1HPGDHSD17B10 | |
| SCHEMBL195535 | 0.71 | MAPT (0.45) | MAPTCYP3A4RAC1CDC42ALDH1A1 | |
| SCHEMBL2742478 | 0.70 | MAPT (0.70) | MAPTCYP3A4RAC1ALDH1A1ACHE |
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-0888346-B1 | CORALYNE ANALOGS AS TOPOISOMERASE INHIBITORS | UNIV RUTGERS (US) | 2001-06-06 | — | — | EP | claimed |