Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 20/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.58 |
| ▸ | CASP1 | P29466 | 11/20 | 0.58 |
| ▸ | CASP7 | P55210 | 11/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 11/20 | 0.58 |
| ▸ | HPGD | P15428 | 5/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.55 |
| ▸ | USP2 | O75604 | 5/20 | 0.55 |
| ▸ | GLA | P06280 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17807800 | 0.82 | CYP1A2 (0.39) | CYP1A2ALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL17813499 | 0.77 | CYP1A2 (0.63) | CYP1A2ALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL31532069 | 0.76 | CYP1A2 (0.61) | CYP1A2ALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL31532070 | 0.76 | CYP1A2 (0.61) | CYP1A2ALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL31532063 | 0.75 | CYP1A2 (0.69) | CYP1A2ALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL17813457 | 0.74 | GRM5 (0.38) | CYP1A2CYP2D6CYP3A4 | |
| SCHEMBL31532102 | 0.73 | CYP1A2 (0.58) | CYP1A2ALDH1A1CASP1CASP7HSD17B10 | |
| SCHEMBL25462034 | 0.72 | ADORA2A (0.32) | KMT2A | |
| SCHEMBL17807736 | 0.69 | CDK2 (0.40) | — | |
| SCHEMBL18898667 | 0.69 | SLC9A1 (0.32) | — |
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-2023083297-A1 | SMALL MOLECULE INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 1 (USP1) AND USES THEREOF | INSILICO MEDICINE IP LIMITED (CN) | 2023-05-19 | — | — | WO | disclosed |