Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 7/20 | 0.37 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31686443 | 0.80 | ADORA2A (0.44) | ADORA2AADORA2BHTTCYP1A2CYP2D6 | |
| SCHEMBL1774571 | 0.80 | HTT (0.51) | ADORA2AADORA2BHTTCYP1A2CYP2D6 | |
| SCHEMBL10420191 | 0.80 | DYRK1A (0.42) | ADORA2AADORA2BHTTCYP1A2CYP2D6 | |
| SCHEMBL2890957 | 0.77 | ABCC8 (0.42) | ADORA2AADORA2BHTTCYP1A2CYP2D6 | |
| SCHEMBL2549734 | 0.77 | ADORA2A (0.41) | ADORA2AADORA2BHTTCYP1A2CYP2D6 | |
| SCHEMBL9354812 | 0.77 | ADORA2A (0.41) | ADORA2AADORA2BHTTCYP1A2CYP2D6 | |
| SCHEMBL9353447 | 0.77 | TDP1 (0.39) | ADORA2AADORA2BHTTCYP1A2CYP2D6 | |
| SCHEMBL9357304 | 0.77 | PKM (0.44) | ADORA2AADORA2BHTTCYP1A2CYP2D6 | |
| SCHEMBL2542592 | 0.77 | MEN1 (0.39) | ADORA2AADORA2BHTTCYP1A2CYP2D6 | |
| SCHEMBL13356463 | 0.77 | ADORA2A (0.41) | ADORA2AADORA2BHTTCYP1A2CYP2D6 |
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-2004043417-A2 | COMPOSITION FOR DYEING KERATIN FIBRES CONTAINING A DYE PRECURSOR AND AN ENZYME WITH NITROREDUCTASE ACTIVITY | L'OREAL (FR) | 2004-05-27 | — | — | WO | claimed |
| WO-2004043417-A2 | COMPOSITION FOR DYEING KERATIN FIBRES CONTAINING A DYE PRECURSOR AND AN ENZYME WITH NITROREDUCTASE ACTIVITY | L'OREAL (FR) | 2004-05-27 | — | — | WO | disclosed |