Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.40 |
| ▸ | ADH1B | P00325 | 2/20 | 0.37 |
| ▸ | ADH1C | P00326 | 2/20 | 0.37 |
| ▸ | ADH1A | P07327 | 2/20 | 0.37 |
| ▸ | ADH7 | P40394 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17340616 | 0.80 | CA12 (0.41) | CA12CA7CA14CA1CA2 | |
| SCHEMBL15337777 | 0.80 | EPHX1 (0.39) | CA12CA7CA14CA1CA2 | |
| SCHEMBL23389153 | 0.78 | APLNR (0.39) | CA12CA7CA14CA1CA2 | |
| SCHEMBL23389155 | 0.78 | APLNR (0.39) | CA12CA7CA14CA1CA2 | |
| SCHEMBL16907757 | 0.78 | CA1 (0.34) | CA12CA7CA14CA1CA2 | |
| SCHEMBL20276207 | 0.76 | IDH1 (0.31) | CA12CA7CA14CA1SMYD3 | |
| SCHEMBL20276237 | 0.76 | IDH1 (0.31) | CA12CA7CA14CA1SMYD3 | |
| SCHEMBL4957467 | 0.73 | CA12 (0.48) | CA12CA7CA14CA1CA2 | |
| SCHEMBL15938482 | 0.73 | CA1 (0.37) | CA12CA7CA14CA1CA2 | |
| SCHEMBL25987937 | 0.73 | SMYD3 (0.36) | CA12CA7CA14CA9SMYD3 |
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-4785016-A | VASOCONSTRICTION, MIGRAINES ALKANEAMINO, ALKANE SULFONAMIDE INDOLES | GLAXO GROUP LIMITED (GB) | 1988-11-15 | — | — | US | disclosed |