Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HRH1 | P35367 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | ALPG | P10696 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL8780954 | 0.84 | NOS1 (0.50) | LOXL2ALDH1A1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL660683 | 0.78 | LOXL2 (0.52) | LOXL2ALDH1A1HRH1CYP3A4CYP2D6 | |
| SCHEMBL2704302 | 0.77 | LOXL2 (0.48) | LOXL2ALDH1A1HRH1CYP3A4CYP2D6 | |
| SCHEMBL12401897 | 0.77 | NOS1 (0.45) | LOXL2CYP3A4CYP2D6NPC1NOS1 | |
| SCHEMBL1891210 | 0.77 | NOS1 (0.57) | LOXL2ALDH1A1CYP3A4CYP2D6FFAR1 | |
| SCHEMBL12376924 | 0.76 | NOS1 (0.43) | CYP3A4CYP2D6HSD17B10SMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL17984659 | 0.76 | LOXL2 (0.46) | LOXL2ALDH1A1HRH1CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL2338709 | 0.76 | NOS1 (0.55) | LOXL2ALDH1A1FFAR1LMNASMN1; SMN2 | |
| SCHEMBL12401872 | 0.76 | CYP3A4 (0.43) | ALDH1A1CYP3A4CYP2D6HSD17B10LMNA | |
| SCHEMBL27207826 | 0.75 | LOXL2 (0.48) | LOXL2ALDH1A1HRH1CYP3A4CYP2D6 |
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-1142881-A1 | POLY(ADP-RIBOSE) POLYMERASE INHIBITORS CONSISTING OF PYRIMIDINE DERIVATIVES | MEIJI SEIKA KAISHA LTD. (JP) | 2001-10-10 | — | — | EP | disclosed |