Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LOX | P28300 | 1/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA6 | P23280 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL489571 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1LOXBCAT2 | |
| SCHEMBL8106699 | 0.87 | LOX (0.47) | ALDH1A1LOXBCAT2HSD11B1KDM4E | |
| SCHEMBL250199 | 0.87 | ALDH1A1 (0.55) | ALDH1A1HSD17B10TDP1HSD11B1GAA | |
| Hydrochloric Acid SCHEMBL7002220 | 0.86 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TDP1PTGS2 | |
| SCHEMBL10846828 | 0.79 | TRPV4 (0.40) | ALDH1A1HSD17B10TDP1HSD11B1KDM4E | |
| SCHEMBL10415459 | 0.79 | GAA (0.50) | ALDH1A1HSD17B10TDP1HSD11B1GAA | |
| SCHEMBL1952210 | 0.76 | PSIP1 (0.48) | ALDH1A1HSD17B10TDP1HSD11B1KDM4E | |
| SCHEMBL29707959 | 0.76 | PSIP1 (0.48) | ALDH1A1HSD17B10TDP1HSD11B1KDM4E | |
| SCHEMBL9360977 | 0.75 | TDP1 (0.44) | ALDH1A1HSD17B10TDP1KDM4EGAA | |
| SCHEMBL30950298 | 0.75 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1HSD11B1KDM4E |
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-117304205-A | Benzimidazole ternary fused ring compound, pharmaceutically acceptable salt thereof and application thereof | 中国科学院广州生物医药与健康研究院 | 2023-12-29 | — | — | CN | disclosed |