Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.49 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.41 |
| ▸ | KLK1 | P06870 | 2/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.40 |
| ▸ | GCGR | P47871 | 4/20 | 0.40 |
| ▸ | ADCY6 | O43306 | 2/20 | 0.40 |
| ▸ | ADCY3 | O60266 | 2/20 | 0.40 |
| ▸ | ADCY9 | O60503 | 2/20 | 0.40 |
| ▸ | ADCY5 | O95622 | 2/20 | 0.40 |
| ▸ | ADCY8 | P40145 | 2/20 | 0.40 |
| ▸ | ADCY7 | P51828 | 2/20 | 0.40 |
| ▸ | ADCY2 | Q08462 | 2/20 | 0.40 |
| ▸ | ADCY1 | Q08828 | 2/20 | 0.40 |
| ▸ | ADCY4 | Q8NFM4 | 2/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGAV | P06756 | 1/20 | 0.40 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29142995 | 1.00 | NR1H4 (0.49) | NR1H4FOLH1ITGB3ITGA2BKLK1 | |
| SCHEMBL29142988 | 0.86 | NR1H4 (0.38) | NR1H4LTA4HST14 | |
| SCHEMBL7303034 | 0.79 | NR1H4 (0.54) | NR1H4ITGB3ITGA2BITGB1ITGAV | |
| Trifluoroacetic Acid SCHEMBL29803776 | 0.79 | MLYCD (0.49) | NR1H4KLK1KLK5ST14 | |
| SCHEMBL24892365 | 0.74 | ST14 (0.55) | NR1H4ST14 | |
| Trifluoroacetic Acid SCHEMBL29143010 | 0.73 | KLK1 (0.49) | NR1H4KLK1KLK5 | |
| SCHEMBL7303517 | 0.73 | NR1H4 (0.61) | NR1H4ITGB3ITGA2BITGB1ITGAV | |
| SCHEMBL7421017 | 0.72 | ITGB3 (0.61) | ITGB3ITGA2BST14S1PR1S1PR3 | |
| SCHEMBL7422860 | 0.72 | ITGB3 (0.61) | ITGB3ITGA2BST14S1PR1S1PR3 | |
| Trifluoroacetic Acid SCHEMBL30182593 | 0.72 | HDAC1 (0.53) | KLK1KLK5ST14 |
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-117447375-A | Guanidine compound, preparation method and application thereof | 中国医学科学院药物研究所 | 2024-01-26 | — | — | CN | disclosed |