Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA6 | P23280 | 4/20 | 0.39 |
| ▸ | CA7 | P43166 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 3/20 | 0.39 |
| ▸ | CA5A | P35218 | 3/20 | 0.39 |
| ▸ | CASP2 | P42575 | 2/20 | 0.39 |
| ▸ | F13A1 | P00488 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | THPO | P40225 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16992897 | 0.84 | CA12 (0.39) | CA12CA6CA7CA9CA14 | |
| SCHEMBL7035084 | 0.83 | — | — | |
| SCHEMBL21799500 | 0.82 | CASP2 (0.38) | CA12CA6CA7CA9CA14 | |
| SCHEMBL9342226 | 0.82 | CA12 (0.38) | CA12CA6CA7CA9CA14 | |
| SCHEMBL9516212 | 0.80 | CASP2 (0.36) | CA12CA6CA7CA9CA14 | |
| SCHEMBL16520178 | 0.80 | TDP1 (0.37) | CA12CA6CA7CA9CA14 | |
| SCHEMBL21800000 | 0.78 | ALDH1A1 (0.36) | CA12CA6CA7CA9CA14 | |
| SCHEMBL11235623 | 0.78 | EPHX1 (0.42) | MEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL14663499 | 0.78 | EPHX1 (0.42) | MEN1KMT2ATSHRALDH1A1 | |
| SCHEMBL989774 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190177632-A1 | FUEL COMPOSITIONS CONTAINING DETERGENTS DERIVED FROM ETHYLENE-ALPHA OLEFIN COPOLYMERS | AFTON CHEMICAL CORPORATION (US) | 2019-06-13 | — | — | US | disclosed |
| EP-2840080-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2017-12-06 | — | — | EP | disclosed |
| WO-2003101382-A2 | COMPOUNDS USEFUL IN THE TREATMENT OF ANTHRAX AND INHIBITING LETHAL FACTOR | MERCK & CO., INC. (US) | 2003-12-11 | — | — | WO | disclosed |