Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6261842 | 0.98 | ADORA2A (0.42) | ADORA2AADORA1ADORA3CYP1A2MAOA | |
| SCHEMBL276859 | 0.98 | ADORA2A (0.42) | ADORA2AADORA1ADORA3CYP1A2MAOA | |
| Acetaldehyde SCHEMBL4861152 | 0.86 | MAOA (0.39) | ADORA2AADORA1ADORA3CYP1A2MAOA | |
| SCHEMBL11210839 | 0.82 | MAOA (0.41) | ADORA2AADORA1ADORA3MAOACA1 | |
| SCHEMBL28264478 | 0.79 | HPGD (0.43) | ADORA2AADORA1ADORA3CYP1A2MEN1 | |
| SCHEMBL29011348 | 0.75 | EED (0.43) | — | |
| SCHEMBL3792258 | 0.74 | MEN1 (0.38) | CYP1A2MEN1KMT2ATDP1NPC1 | |
| SCHEMBL28865454 | 0.73 | MEN1 (0.37) | CYP1A2MAOAMAOBMEN1KMT2A | |
| SCHEMBL34470674 | 0.72 | TSHR (0.36) | MEN1KMT2ANPC1L3MBTL1 | |
| SCHEMBL104411 | 0.70 | MEN1 (0.38) | CYP1A2MEN1KMT2ATDP1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103965147-B | Benzofuran derivatives | 武田药品工业株式会社 | 2016-08-24 | — | — | CN | disclosed |