Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.47 |
| ▸ | SPR | P35270 | 2/20 | 0.46 |
| ▸ | PDE7A | Q13946 | 9/20 | 0.40 |
| ▸ | PDE1A | P54750 | 2/20 | 0.39 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.39 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19703379 | 0.86 | PIK3CD (0.48) | PIK3CDSPRPDE7APDE1APDE1B | |
| SCHEMBL28410346 | 0.83 | PIK3CD (0.47) | PIK3CDSPRPDE7APDE1APDE1B | |
| SCHEMBL30619300 | 0.83 | PIK3CD (0.47) | PIK3CDSPRPDE7APDE1APDE1B | |
| SCHEMBL19698034 | 0.81 | PIK3CD (0.46) | PIK3CDSPRPDE7APDE1APDE1B | |
| SCHEMBL28398423 | 0.76 | PIK3CD (0.42) | PIK3CDSPRPDE7APDE1APDE1B | |
| SCHEMBL19597133 | 0.75 | KDM4C (0.50) | PIK3CDSPRPDE7APDE1APDE1B | |
| SCHEMBL18731891 | 0.74 | PIK3CD (0.38) | ESR1PIK3CDPDE1APDE1BPDE1C | |
| SCHEMBL28396902 | 0.73 | PIK3CD (0.44) | PIK3CDSPRPDE1APDE1BPDE1C | |
| SCHEMBL30619306 | 0.73 | PIK3CD (0.44) | PIK3CDSPRPDE1APDE1BPDE1C | |
| SCHEMBL18731899 | 0.72 | ESR1 (0.42) | ESR1PIK3CDPDE7AALDH1A1HPGD |
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-111196804-B | TGF-beta R1 inhibitors and uses thereof | 南京圣和药业股份有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-111196804-A | TGF- β R1 inhibitor and application thereof | 南京圣和药业股份有限公司 | 2020-05-26 | — | — | CN | disclosed |