Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 18/20 | 0.40 |
| ▸ | CA1 | P00915 | 14/20 | 0.39 |
| ▸ | CA9 | Q16790 | 8/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA7 | P43166 | 4/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.36 |
| ▸ | CA3 | P07451 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27951234 | 0.85 | CA2 (0.41) | CA2CA1CA9CA12CA7 | |
| SCHEMBL276801 | 0.85 | CA2 (0.43) | CA2CA1CA9CA12CA7 | |
| SCHEMBL16054091 | 0.84 | CA1 (0.39) | CA2CA1CA12CA7CA14 | |
| Pentane SCHEMBL7408982 | 0.83 | CA2 (0.40) | CA2CA1CA9CA12CA7 | |
| SCHEMBL24665746 | 0.80 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL20542290 | 0.80 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL20074598 | 0.80 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL277861 | 0.80 | CA2 (0.45) | CA2CA1CA9CA12CA7 | |
| SCHEMBL7109060 | 0.80 | CA2 (0.50) | CA2CA1CA9CA12CA7 | |
| SCHEMBL391697 | 0.79 | TP53 (0.39) | CA2CA1TP53TSHRTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102099353-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2011-06-15 | — | — | CN | disclosed |
| US-5276179-A | Used in photographic processing solution, chelate titration, for metallic ion shielding agent, medical drug | FUJI PHOTO FILM CO., LTD. (JP) | 1994-01-04 | — | — | US | disclosed |
| US-5191117-A | SULFONAMIDE DERIVATIVE | FUJI PHOTO FILM CO., LTD. (JP) | 1993-03-02 | — | — | US | disclosed |