Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 13/20 | 0.77 |
| ▸ | CA2 | P00918 | 13/20 | 0.77 |
| ▸ | CA9 | Q16790 | 8/20 | 0.77 |
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | KIF11 | P52732 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19450812 | 0.88 | CA1 (0.74) | CA1CA2CA9NPC1HDAC1 | |
| SCHEMBL6034081 | 0.88 | CA1 (0.74) | CA1CA2CA9NPC1HDAC1 | |
| SCHEMBL11722167 | 0.87 | KMT2A (0.64) | CA1CA2CA9NPC1HDAC1 | |
| SCHEMBL2626668 | 0.87 | CA1 (0.72) | CA1CA2CA9NPC1HDAC1 | |
| SCHEMBL6569456 | 0.78 | ABCC9 (0.65) | MEN1KMT2ACYP2C19 | |
| SCHEMBL6569461 | 0.78 | ABCC9 (0.65) | MEN1KMT2ACYP2C19 | |
| SCHEMBL30148008 | 0.78 | SMN1; SMN2 (0.67) | CA1CA2CA9NPC1HDAC1 | |
| SCHEMBL6694651 | 0.78 | SMN1; SMN2 (0.67) | CA1CA2CA9NPC1HDAC1 | |
| SCHEMBL6034089 | 0.77 | CA1 (0.59) | CA1CA2CA9PKMMEN1 | |
| SCHEMBL13608495 | 0.77 | NPC1 (0.56) | CA1CA2CA9NPC1HDAC1 |
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-4030994-A | FLUOROXY PENTAFLUOROSULFUR | MERCK & CO., INC. (US) | 1977-06-21 | — | — | US | disclosed |