Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | NT5E | P21589 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1401190 | 0.96 | CA2 (0.69) | CA2TSHRTDP1CA5ACA5B | |
| Sulfuric Acid SCHEMBL29180545 | 0.92 | CA2 (0.64) | CA2TSHRTDP1CA5ACA5B | |
| Ammonia Solution, Strong SCHEMBL9413597 | 0.92 | CA2 (0.64) | CA2TSHRTDP1CA5ACA5B | |
| SCHEMBL12544457 | 0.92 | CA2 (0.64) | CA2TSHRTDP1CA5ACA5B | |
| Ammonia Solution, Strong SCHEMBL6677032 | 0.92 | CA2 (0.64) | CA2TSHRTDP1CA5ACA5B | |
| SCHEMBL381483 | 0.92 | CA2 (0.64) | CA2TSHRTDP1CA5ACA5B | |
| SCHEMBL931357 | 0.88 | CA2 (0.69) | CA2TSHRTDP1CA5ACA5B | |
| Ammonia Solution, Strong SCHEMBL1357598 | 0.85 | CA2 (0.64) | CA2TSHRTDP1CA5ACA5B | |
| Trimethylammonium SCHEMBL9413607 | 0.83 | CA2 (0.53) | CA2TSHRTDP1 | |
| Sulfuric Acid SCHEMBL11340834 | 0.81 | CA2 (0.60) | CA2TSHRTDP1CA5ACA5B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2646794-B1 | METHOD FOR IN SITU DETECTION OF EXPLOXSIVES IN A GASEOUS MEDIUM | COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2014-08-27 | — | — | EP | claimed |