Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHCY | P23526 | 6/20 | 0.59 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | HSP90B1 | P14625 | 3/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL3048652 | 0.89 | AHCY (0.61) | AHCYTSHRHSP90B1ADORA3ADORA2B | |
| SCHEMBL2118357 | 0.82 | DPP4 (0.61) | AHCYTSHRHSP90B1ADORA3ADORA2B | |
| SCHEMBL18026180 | 0.81 | ADORA3 (0.63) | AHCYTSHRHSP90B1ADORA3ADORA2B | |
| SCHEMBL21837298 | 0.81 | ADORA3 (0.63) | AHCYTSHRHSP90B1ADORA3ADORA2B | |
| SCHEMBL800618 | 0.81 | ADORA3 (0.63) | AHCYTSHRHSP90B1ADORA3ADORA2B | |
| SCHEMBL21413842 | 0.81 | ADORA3 (0.63) | AHCYTSHRHSP90B1ADORA3ADORA2B | |
| SCHEMBL29042658 | 0.80 | TSHR (0.62) | AHCYTSHRHSP90B1ADORA3ADORA2B | |
| SCHEMBL5327602 | 0.80 | AHCY (0.65) | AHCYTSHRHSP90B1ADORA3ADORA2B | |
| SCHEMBL8441544 | 0.80 | P2RY2 (0.64) | — | |
| SCHEMBL177772 | 0.79 | AHCY (0.61) | AHCYTSHRHSP90B1ADORA3ADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-103354733-B | Use of remote ischemic conditioning for traumatic injury | 儿童医院 | 2017-02-22 | — | — | CN | disclosed |
| US-6392049-B1 | NITRATION USING NITRIC ACID | AVENTIS PHARMACEUTICALS INC. | 2002-05-21 | — | — | US | disclosed |