Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.65 |
| ▸ | CA6 | P23280 | 4/20 | 0.65 |
| ▸ | CA7 | P43166 | 4/20 | 0.65 |
| ▸ | CA9 | Q16790 | 4/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.65 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.65 |
| ▸ | CA2 | P00918 | 3/20 | 0.65 |
| ▸ | CA4 | P22748 | 3/20 | 0.65 |
| ▸ | CA5A | P35218 | 3/20 | 0.65 |
| ▸ | F13A1 | P00488 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.65 |
| ▸ | THPO | P40225 | 2/20 | 0.65 |
| ▸ | CA3 | P07451 | 2/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | PKM | P14618 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | MTOR | P42345 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL9798759 | 1.00 | CA12 (0.65) | CA12CA6CA7CA9CA14 | |
| SCHEMBL974498 | 0.97 | CA12 (0.68) | CA12CA6CA7CA9CA14 | |
| SCHEMBL28950192 | 0.95 | CA12 (0.65) | CA12CA6CA7CA9CA14 | |
| SCHEMBL20711434 | 0.95 | CA12 (0.68) | CA12CA6CA7CA9CA14 | |
| SCHEMBL28778153 | 0.95 | CA12 (0.65) | CA12CA6CA7CA9CA14 | |
| SCHEMBL1036086 | 0.95 | CA12 (0.65) | CA12CA6CA7CA9CA14 | |
| SCHEMBL28257173 | 0.95 | CA12 (0.65) | CA12CA6CA7CA9CA14 | |
| SCHEMBL31141519 | 0.92 | CA12 (0.58) | CA12CA6CA7CA9CA14 | |
| SCHEMBL8979927 | 0.92 | CA12 (0.58) | CA12CA6CA7CA9CA14 | |
| SCHEMBL263795 | 0.92 | CA12 (0.68) | CA12CA6CA7CA9CA14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1196371-A1 | QUATERNARY BIS-AMMONIUM SALT PRECURSORS AND THEIR USES AS PRODRUGS HAVING AN ANTIPARASITIC ACTIVITY | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001005742-A1 | QUATERNARY BIS-AMMONIUM SALT PRECURSORS AND THEIR USES AS PRODRUGS HAVING AN ANTIPARASITIC ACTIVITY | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2001-01-25 | — | — | WO | disclosed |