Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9974730 | 0.85 | ALDH1A1 (0.70) | ALDH1A1MAPK1HTTOPRK1MAPT | |
| SCHEMBL9974755 | 0.83 | ALDH1A1 (0.52) | ALDH1A1MAPK1HTTOPRK1MAPT | |
| SCHEMBL9974701 | 0.78 | CYP3A4 (0.37) | MAPK1OPRK1CYP3A4MEN1KMT2A | |
| SCHEMBL9938525 | 0.77 | ALDH1A1 (0.58) | ALDH1A1MAPK1HTTOPRK1MAPT | |
| Hydrochloric Acid SCHEMBL1982671 | 0.76 | CYP3A4 (0.35) | MAPK1OPRK1CYP3A4MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9936213 | 0.76 | CYP3A4 (0.35) | MAPK1OPRK1CYP3A4MEN1KMT2A | |
| SCHEMBL14717627 | 0.73 | OPRK1 (0.38) | OPRK1 | |
| SCHEMBL801074 | 0.72 | ALDH1A1 (0.59) | ALDH1A1MAPK1HTTOPRK1MAPT | |
| SCHEMBL25199087 | 0.70 | HTT (0.64) | ALDH1A1MAPK1HTTOPRK1MAPT | |
| SCHEMBL3725533 | 0.70 | HTT (0.68) | ALDH1A1MAPK1HTTOPRK1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012080286-A2 | DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER | L'OREAL (FR) | 2012-06-21 | — | — | WO | disclosed |
| WO-2012080287-A2 | DYE COMPOSITION COMPRISING A SECONDARY PARA-PHENYLENEDIAMINE OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER | L'OREAL (FR) | 2012-06-21 | — | — | WO | disclosed |