Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | PNMT | P11086 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | PDCD1LG2 | Q9BQ51 | 3/20 | 0.45 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13913509 | 0.84 | KCNK3 (0.46) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL12061499 | 0.82 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL19398867 | 0.82 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL29705638 | 0.81 | CA1 (0.55) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL334556 | 0.81 | CA1 (0.55) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL334379 | 0.81 | CA1 (0.55) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL29471011 | 0.81 | CA1 (0.55) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL1257092 | 0.81 | CA1 (0.55) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL21377269 | 0.81 | CA1 (0.55) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL12094589 | 0.81 | KCNK3 (0.41) | CYP2D6CYP1A2CYP3A4ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021110009-A1 | NOVEL AURORA KINASE INHIBITOR AND USE THEREOF | 微境生物医药科技(上海)有限公司 | 2021-06-10 | — | — | WO | disclosed |