Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 3/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 3/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL20350309 | 0.76 | ALDH1A1 (0.36) | P2RX7ALDH1A1LMNAHTTKMT2A | |
| SCHEMBL17072118 | 0.74 | PARP1 (0.39) | P2RX7ALDH1A1LMNAHTTKMT2A | |
| SCHEMBL21894544 | 0.74 | TNF (0.36) | TNNI3KBRAFARNR3C1PGR | |
| SCHEMBL29415604 | 0.74 | ALDH1A1 (0.39) | P2RX7ALDH1A1LMNAHTTCCR8 | |
| SCHEMBL15826676 | 0.74 | ALDH1A1 (0.38) | P2RX7ALDH1A1LMNAHTTNR3C1 | |
| SCHEMBL30954324 | 0.74 | ALDH1A1 (0.39) | P2RX7ALDH1A1LMNAHTTCCR8 | |
| SCHEMBL8349453 | 0.74 | PARP1 (0.39) | P2RX7ALDH1A1LMNAHTTKMT2A | |
| SCHEMBL19297128 | 0.73 | ACE2 (0.36) | P2RX7ALDH1A1LMNAHTTKMT2A | |
| SCHEMBL27937845 | 0.69 | IDO1 (0.53) | ARKMT2AMEN1USP2KEAP1 | |
| SCHEMBL27271494 | 0.69 | TSHR (0.34) | P2RX7ALDH1A1LMNAHTT |
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-2651516-B1 | DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A 4-AMINOINDOLE COUPLER | L'ORÉAL (FR) | 2017-06-14 | — | — | EP | disclosed |