Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 4/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Tetrapropylammonium SCHEMBL9460675 | 1.00 | KDM4E (0.52) | KDM4EPOLBCA12CA1CA2 | |
| Tetrabuthylammonium SCHEMBL9460306 | 0.90 | POLB (0.49) | KDM4EPOLBCA12CA1CA2 | |
| Tetrapentylammonium SCHEMBL9460162 | 0.90 | POLB (0.49) | KDM4EPOLBCA12CA1CA2 | |
| Tetrapentylammonium SCHEMBL9460543 | 0.90 | POLB (0.49) | KDM4EPOLBCA12CA1CA2 | |
| Tetrabuthylammonium SCHEMBL9460192 | 0.90 | POLB (0.49) | KDM4EPOLBCA12CA1CA2 | |
| Tetrapropylammonium SCHEMBL9133936 | 0.90 | POLB (0.67) | KDM4EPOLBCA12CA1CA2 | |
| Tetrapropylammonium SCHEMBL9130677 | 0.90 | POLB (0.67) | KDM4EPOLBCA12CA1CA2 | |
| Tetrahexylammonium SCHEMBL9460313 | 0.89 | POLB (0.47) | KDM4EPOLBCA12CA1CA2 | |
| Tetrahexylammonium SCHEMBL9460327 | 0.89 | POLB (0.47) | KDM4EPOLBCA12CA1CA2 | |
| SCHEMBL9460082 | 0.89 | POLB (0.47) | KDM4EPOLBCA12CA1CA2 |
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-5274184-A | Aryl sulphide, aryl sulphoxide and aryl sulphone compounds | CASSELLA AKTIENGESELLSCHAFT (DE) | 1993-12-28 | — | — | US | disclosed |