Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | CA4 | P22748 | 1/20 | 0.51 |
| ▸ | CA6 | P23280 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.51 |
| ▸ | CA5A | P35218 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.51 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.51 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 7/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11778805 | 0.90 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11777201 | 0.87 | GAA (0.45) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11783802 | 0.85 | CISD1 (0.47) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11798775 | 0.85 | ALDH1A1 (0.48) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11777521 | 0.80 | ALDH1A1 (0.45) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11777604 | 0.80 | CA2 (0.43) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11780993 | 0.80 | CA2 (0.56) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11777610 | 0.80 | CA2 (0.43) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11796927 | 0.77 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL11781725 | 0.77 | GAA (0.43) | ALDH1A1CA12CA1CA2CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3990980-A | Hybrid liquid toners | PHILIP A. HUNT CHEMICAL CORPORATION (US) | 1976-11-09 | — | — | US | claimed |
| US-3933906-A | DIURETIC | CIBA-GEIGY CORPORATION (US) | 1976-01-20 | — | — | US | disclosed |