Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL145441 | 0.83 | CA1 (0.44) | CA1CA2CA9IDO1HCAR2 | |
| Benzene SCHEMBL28923385 | 0.83 | CA1 (0.44) | CA1CA2CA9IDO1HCAR2 | |
| SCHEMBL292605 | 0.78 | TSHR (0.48) | CA1CA2CA9IDO1HCAR2 | |
| SCHEMBL5190106 | 0.78 | TSHR (0.48) | CA1CA2CA9IDO1HCAR2 | |
| SCHEMBL16116275 | 0.77 | TSHR (0.36) | IDO1ALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL2067106 | 0.74 | CA1 (0.44) | CA1CA2CA9IDO1HCAR2 | |
| SCHEMBL26583 | 0.74 | CA1 (0.48) | CA1CA2CA9IDO1HCAR2 | |
| SCHEMBL450596 | 0.74 | CA1 (0.44) | CA1CA2CA9IDO1HCAR2 | |
| SCHEMBL30033398 | 0.74 | CA1 (0.44) | CA1CA2CA9IDO1HCAR2 | |
| Benzene SCHEMBL28219713 | 0.74 | CA1 (0.48) | CA1CA2CA9IDO1HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4276417-A | TREATMENT OF VASCULAR-CONDITION HYPERTENSION | HOFFMANN-LA ROCHE INC. (US) | 1981-06-30 | — | — | US | claimed |