Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 3/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 5/20 | 0.33 |
| ▸ | PPARG | P37231 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.32 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 2/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28461037 | 0.93 | CTSS (0.36) | CTSSCTSKCTSLCTSBPPARA | |
| SCHEMBL5983441 | 0.72 | NFKB1 (0.36) | CTSSCTSKCTSLCTSBNFKB1 | |
| SCHEMBL8970782 | 0.71 | MEN1 (0.38) | TSHR | |
| Methane SCHEMBL27537449 | 0.69 | NFKB1 (0.36) | CTSSCTSKCTSLCTSBNFKB1 | |
| SCHEMBL13244981 | 0.69 | SYK (0.58) | KLK5CTSSCTSKCTSLCTSB | |
| SCHEMBL13337480 | 0.69 | SYK (0.58) | KLK5CTSSCTSKCTSLCTSB | |
| SCHEMBL23787015 | 0.69 | BCL2 (0.36) | KLK5PPARAPPARGTSHRATM | |
| SCHEMBL5983320 | 0.68 | ALDH1A1 (0.34) | KLK5CTSSCTSKCTSLCTSB | |
| SCHEMBL1119645 | 0.67 | THRB (0.35) | — | |
| SCHEMBL24234472 | 0.67 | SYK (0.49) | KLK5CTSSCTSKCTSLCTSB |
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-105777464-B | Hydroxamic acid derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2020-09-29 | — | — | CN | disclosed |