Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.52 |
| ▸ | USP2 | O75604 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.49 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.49 |
| ▸ | CDK2 | P24941 | 3/20 | 0.49 |
| ▸ | GSK3B | P49841 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15308588 | 0.86 | NPSR1 (0.58) | NPSR1GAAALDH1A1HSD17B10USP2 | |
| SCHEMBL19309166 | 0.83 | NPSR1 (0.53) | NPSR1GAAALDH1A1HSD17B10USP2 | |
| SCHEMBL17718287 | 0.83 | NPSR1 (0.53) | NPSR1GAAALDH1A1HSD17B10USP2 | |
| SCHEMBL16628998 | 0.81 | ATR (0.49) | — | |
| SCHEMBL17657921 | 0.78 | ALDH1A1 (0.50) | GAAALDH1A1HSD17B10HPGDKDM4E | |
| SCHEMBL17657856 | 0.77 | PIK3CD (0.53) | — | |
| SCHEMBL3409495 | 0.77 | GSK3B (0.63) | ALDH1A1USP2HPGDTSHRMAPT | |
| SCHEMBL4008289 | 0.77 | ATR (0.73) | ALDH1A1HSD17B10KDM4ETSHRMAPT | |
| SCHEMBL17657923 | 0.77 | BRD4 (0.49) | NPSR1ALDH1A1HPGDKDM4ETSHR | |
| SCHEMBL17657874 | 0.77 | PIK3CD (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4066834-A1 | HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS | Infinity Pharmaceuticals, Inc. (US) | 2022-10-05 | — | — | EP | disclosed |
| WO-2015051241-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2015-04-09 | — | — | WO | disclosed |