Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 9/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL102331 | 0.76 | PDPK1 (0.59) | HSP90AA1ADORA2AADORA1ALDH1A1TSHR | |
| SCHEMBL29471933 | 0.75 | ADORA2A (0.43) | HSP90AA1ADORA2AADORA1ALDH1A1TSHR | |
| SCHEMBL28231871 | 0.75 | ADORA2A (0.46) | HSP90AA1ADORA2AADORA1PDPK1LOXL2 | |
| SCHEMBL3799812 | 0.75 | SPHK2 (0.56) | HSP90AA1ADORA2AADORA1ALDH1A1NOS1 | |
| SCHEMBL622573 | 0.75 | LOXL2 (0.41) | HSP90AA1ADORA2AADORA1ALDH1A1TSHR | |
| SCHEMBL30632310 | 0.74 | PDPK1 (0.56) | HSP90AA1ADORA2AADORA1ALDH1A1TSHR | |
| SCHEMBL31556353 | 0.74 | PDPK1 (0.56) | HSP90AA1ADORA2AADORA1ALDH1A1TSHR | |
| SCHEMBL30534095 | 0.74 | PDPK1 (0.56) | HSP90AA1ADORA2AADORA1ALDH1A1TSHR | |
| SCHEMBL28154527 | 0.74 | PDPK1 (0.56) | HSP90AA1ADORA2AADORA1ALDH1A1TSHR | |
| SCHEMBL31374411 | 0.71 | HSP90AA1 (0.56) | HSP90AA1ADORA2AADORA1ALDH1A1TSHR |
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-2797928-B1 | NOVEL ORGANIC COMPOUND | CANON KK (JP) | 2017-03-29 | — | — | EP | disclosed |