Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.44 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.41 |
| ▸ | GCGR | P47871 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7573733 | 0.84 | GRM2 (0.41) | ADORA1ADORA2AADORA2BHPGDHTT | |
| SCHEMBL7573754 | 0.82 | MAPT (0.45) | ADORA1ADORA2AHPGDHTTTP53 | |
| SCHEMBL7572014 | 0.73 | CYP2D6 (0.53) | HPGDHTTTP53MAPK1MAPT | |
| SCHEMBL7580611 | 0.73 | MAPT (0.44) | ADORA1HPGDHTTMAPTRXFP1 | |
| SCHEMBL7582390 | 0.72 | GCGR (0.40) | ADORA2AADORA3MAPTGCGRCYP1A2 | |
| SCHEMBL16673312 | 0.72 | GAA (0.43) | HPGDMAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29152130 | 0.72 | ADORA1 (0.53) | ADORA1ADORA2AADORA2BHPGDHTT | |
| 1-Butyloxy-3-Methoxybenzene SCHEMBL1071738 | 0.71 | MAPK1 (0.61) | MAPK1CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL8402204 | 0.71 | BTK (0.52) | ADORA1ADORA2AADORA2BHPGDHTT | |
| SCHEMBL12879202 | 0.71 | CYP11B1 (0.57) | HPGDHTTCYP11B1CYP11B2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002096913-A1 | SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES | GENTIAN AS (NO) | 2002-12-05 | — | — | WO | disclosed |