Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 17/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 17/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 16/20 | 0.42 |
| ▸ | TSHR | P16473 | 13/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 9/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.42 |
| ▸ | LMNA | P02545 | 7/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.42 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 14/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 7/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23966804 | 1.00 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL24096504 | 0.85 | EGFR (0.41) | CYP1A2CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL29998362 | 0.85 | EGFR (0.41) | CYP1A2CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL27217801 | 0.82 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL24072921 | 0.81 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL23966738 | 0.80 | NPC1 (0.43) | CYP1A2CYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL30180828 | 0.77 | NEK7 (0.56) | — | |
| SCHEMBL23966757 | 0.77 | NEK7 (0.56) | — | |
| SCHEMBL24034173 | 0.77 | NEK7 (0.44) | — | |
| SCHEMBL27217642 | 0.76 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C19TSHRALDH1A1 |
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-115843272-A | Inhibitors of NEK7 kinase | 哈利亚治疗公司 | 2023-03-24 | — | — | CN | disclosed |
| EP-4146348-A1 | INHIBITORS OF NEK7 KINASE | Halia Therapeutics, Inc. (US) | 2023-03-15 | — | — | EP | disclosed |