Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 2/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | GPR139 | Q6DWJ6 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | PHGDH | O43175 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | 0.93 | TACR3 (0.57) | TACR3ALDH1A1POLBHTTMAOA | |
| SCHEMBL31385131 | 0.90 | MAOA (0.61) | TACR3GPR139ALDH1A1POLBHTT | |
| SCHEMBL31385144 | 0.88 | ROCK2 (0.55) | TACR3ALDH1A1POLBHTTMAOA | |
| SCHEMBL31385130 | 0.88 | PTGER4 (0.56) | TACR3ADORA3GPR139PHGDHSMN1; SMN2 | |
| SCHEMBL31385320 | 0.86 | PHGDH (0.52) | TACR3ALDH1A1POLBHTTPHGDH | |
| SCHEMBL31385233 | 0.83 | ADORA2B (0.53) | TACR3ADORA3ALDH1A1POLBHTT | |
| SCHEMBL31385140 | 0.82 | GAA (0.55) | TACR3GPR139ALDH1A1POLBHTT | |
| SCHEMBL31385317 | 0.80 | TACR3 (0.59) | TACR3ADORA3ALDH1A1POLBHTT | |
| SCHEMBL31385183 | 0.80 | ADORA2A (0.48) | TACR3MAPTMEN1KMT2ACYP1A2 | |
| SCHEMBL31385169 | 0.80 | ADORA2A (0.53) | TACR3ADORA3 |
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 |