Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | GSDMD | P57764 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.31 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL27925599 | 0.78 | — | — | |
| SCHEMBL2103125 | 0.65 | — | — | |
| SCHEMBL23588022 | 0.63 | — | — | |
| SCHEMBL8782128 | 0.61 | ALDH1A1 (0.36) | ABCB11CYP2E1PTGS1HTTGSDMD | |
| SCHEMBL8782125 | 0.61 | ALDH1A1 (0.36) | ABCB11CYP2E1PTGS1HTTGSDMD | |
| Hydrochloric Acid SCHEMBL22575501 | 0.61 | EHMT2 (0.33) | ABCB11CYP2E1PTGS1HTTGSDMD | |
| SCHEMBL224316 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL22771718 | 0.61 | EHMT2 (0.33) | ABCB11CYP2E1PTGS1HTTGSDMD | |
| SCHEMBL10884227 | 0.60 | LMNA (0.36) | HTTCA12CA1CA9 | |
| SCHEMBL8969492 | 0.60 | LMNA (0.46) | HTTCA12CA1CA9HSD17B10 |
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-103420880-A | Derivatives of pesticide nereistoxin and preparation method of derivatives | GAUNGXI TIANYUAN BIOCHEMISTRY | 2013-12-04 | — | — | CN | disclosed |