Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | TACR3 | P29371 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.43 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.42 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31385143 | 0.83 | TACR3 (0.57) | ADORA2ATACR3CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL31385131 | 0.82 | MAOA (0.61) | TACR3KMT2ACYP2C9MEN1CYP1A2 | |
| SCHEMBL31385140 | 0.80 | GAA (0.55) | PPARGTACR3CYP2C9CYP1A2CYP3A4 | |
| SCHEMBL31385239 | 0.80 | TACR3 (0.51) | TACR3KMT2ACYP2C9MEN1CYP1A2 | |
| SCHEMBL31385144 | 0.79 | ROCK2 (0.55) | ADORA2APPARGTACR3KMT2ACYP2C9 | |
| SCHEMBL28049266 | 0.78 | NPC1 (0.58) | PPARGKMT2ACYP2C9MEN1CYP1A2 | |
| SCHEMBL31385169 | 0.78 | ADORA2A (0.53) | ADORA2APPARGTACR3SSTR4 | |
| SCHEMBL25375819 | 0.76 | GAA (0.50) | PPARGKMT2AMEN1ROCK2ROCK1 | |
| SCHEMBL31385130 | 0.76 | PTGER4 (0.56) | TACR3KMT2AMEN1MAPT | |
| SCHEMBL31385233 | 0.76 | ADORA2B (0.53) | ADORA2AADORA1TACR3CYP2C9ROCK2 |
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-119119035-A | RIPK1 kinase target inhibitor and preparation method and application thereof | 中山大学 | 2024-12-13 | — | — | CN | disclosed |