Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | EGFR | P00533 | 2/20 | 0.31 |
| ▸ | KDR | P35968 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13525218 | 0.89 | CYP1A2 (0.36) | CYP1A2CYP2C9CYP2C19ALDH1A1HPGD | |
| SCHEMBL11321392 | 0.86 | PABPC1 (0.34) | ALDH1A1PABPC1 | |
| SCHEMBL13525233 | 0.75 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A | |
| SCHEMBL11309470 | 0.75 | PABPC1 (0.38) | KMT2APABPC1 | |
| SCHEMBL13525237 | 0.75 | PABPC1 (0.32) | PABPC1 | |
| SCHEMBL11315137 | 0.73 | MTNR1B (0.39) | CYP1A2CYP2C9CYP2C19ALDH1A1HPGD | |
| SCHEMBL11252143 | 0.72 | PGK1 (0.40) | ALDH1A1KMT2AKDM4EMAPTLMNA | |
| SCHEMBL11410488 | 0.72 | PTGS1 (0.36) | ALDH1A1HPGDKMT2AKDM4EMAPT | |
| SCHEMBL11627741 | 0.72 | CA12 (0.36) | CYP1A2CYP2C9CYP2C19ALDH1A1HPGD | |
| SCHEMBL10783938 | 0.71 | ALDH1A1 (0.33) | ALDH1A1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4221729-A | HAIR DYES | L'OREAL (FR) | 1980-09-09 | — | — | US | claimed |
| US-4248591-A | HAIR DYES | L'OREAL (FR) | 1981-02-03 | — | — | US | disclosed |
| US-4221729-A | HAIR DYES | L'OREAL (FR) | 1980-09-09 | — | — | US | disclosed |