Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | PRKDC | P78527 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3534917 | 0.82 | ALDH1A1 (0.33) | ALDH1A1TSHRTDP1CA2TRPA1 | |
| SCHEMBL1194484 | 0.80 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1CA2TRPA1 | |
| SCHEMBL7803366 | 0.79 | ALDH1A1 (0.32) | ALDH1A1TSHRTDP1TRPA1KIF11 | |
| SCHEMBL545684 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRTDP1CA2TRPA1 | |
| Phosphine SCHEMBL2238711 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TSHRTDP1CA2TRPA1 | |
| SCHEMBL2282082 | 0.78 | TRPA1 (0.41) | ALDH1A1TSHRTDP1CA2TRPA1 | |
| SCHEMBL2302928 | 0.77 | TRPA1 (0.39) | ALDH1A1TSHRTDP1CA2TRPA1 | |
| SCHEMBL6377001 | 0.76 | HSD11B1 (0.42) | ALDH1A1TDP1TRPA1 | |
| SCHEMBL11020611 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TSHRTDP1CA2TRPA1 | |
| SCHEMBL1372350 | 0.74 | ALDH1A1 (0.33) | ALDH1A1TSHRTDP1CA2TRPA1 |
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-112972378-A | Peptidomimetic macrocycles and formulations thereof | 艾瑞朗医疗公司 | 2021-06-18 | — | — | CN | disclosed |