Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | ESRRA | P11474 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5901440 | 0.80 | RAB9A (0.36) | CYP3A4ESRRANPC1RAB9AKDM4E | |
| SCHEMBL3558933 | 0.75 | KDM4E (0.49) | NPC1RAB9AKDM4EALDH1A1TP53 | |
| SCHEMBL34476468 | 0.72 | ESRRA (0.52) | ESRRA | |
| SCHEMBL34475096 | 0.72 | ESRRA (0.51) | ESRRA | |
| SCHEMBL19423843 | 0.71 | GFER (0.42) | NPC1RAB9AKDM4EALDH1A1TP53 | |
| SCHEMBL13823459 | 0.71 | PDE10A (0.46) | CYP3A4SMN1; SMN2HPGDMEN1KMT2A | |
| SCHEMBL13035828 | 0.69 | ALDH1A1 (0.56) | ESRRANPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL24745609 | 0.69 | CA12 (0.41) | CYP3A4NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL3194071 | 0.68 | CYP1A2 (0.49) | CYP3A4NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL4664846 | 0.68 | ALDH1A1 (0.33) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 |
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-1428510-A1 | Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use | L'OREAL (FR) | 2004-06-16 | — | — | EP | claimed |
| EP-1428510-A1 | Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use | L'OREAL (FR) | 2004-06-16 | — | — | EP | disclosed |