Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA7 | P43166 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | FYN | P06241 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 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 | |
|---|---|---|---|---|
| SCHEMBL29924488 | 1.00 | CXCR2 (0.39) | CXCR2CA2CA1CA7CA12 | |
| SCHEMBL20892638 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TAAR1MAPK1 | |
| SCHEMBL11439324 | 0.83 | CA2 (0.45) | CXCR2CA2CA1CA7CA12 | |
| SCHEMBL1952571 | 0.74 | IDO1 (0.43) | CXCR2CA2CA1CA7CA12 | |
| SCHEMBL11426617 | 0.74 | ALDH1A1 (0.50) | CA2CA1CA7CA9ALDH1A1 | |
| SCHEMBL10814735 | 0.74 | TRPA1 (0.52) | CXCR2CA2CA1CA7CA12 | |
| SCHEMBL27647088 | 0.74 | MAPT (0.38) | CXCR2ALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL12683307 | 0.74 | L3MBTL1 (0.34) | CXCR2ALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL5512079 | 0.73 | PDE4D (0.38) | CA2CA1CA7CA12CA14 | |
| SCHEMBL11802445 | 0.73 | TSHR (0.50) | CA2CA1CA7CA12CA14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117177970-A | Polycyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-05 | — | — | CN | disclosed |