Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8520558 | 0.72 | GPR84 (0.46) | TAAR1CYP1A2CYP2D6L3MBTL1IDO1 | |
| SCHEMBL23118869 | 0.67 | KMT2A (0.58) | NAMPTMEN1KMT2A | |
| SCHEMBL31135323 | 0.63 | CYP19A1 (0.49) | AKT1CYP19A1NAMPTROCK2ROCK1 | |
| SCHEMBL19414325 | 0.62 | TSHR (0.31) | TAAR1 | |
| SCHEMBL5681339 | 0.61 | TAAR1 (0.67) | TAAR1CYP1A2CYP2D6L3MBTL1IDO1 | |
| SCHEMBL21141269 | 0.58 | — | — | |
| SCHEMBL6896423 | 0.58 | TAAR1 (0.61) | TAAR1CYP1A2CYP2D6L3MBTL1IDO1 | |
| SCHEMBL681408 | 0.58 | TAAR1 (1.00) | TAAR1CYP1A2CYP2D6L3MBTL1IDO1 | |
| SCHEMBL11445996 | 0.58 | TAAR1 (0.61) | TAAR1CYP1A2CYP2D6L3MBTL1IDO1 | |
| SCHEMBL6247414 | 0.58 | TAAR1 (0.61) | TAAR1CYP1A2CYP2D6L3MBTL1IDO1 |
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-4031547-B1 | PLASMA KALLIKREIN INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-17 | — | — | EP | disclosed |