Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | G6PD | P11413 | 1/20 | 0.47 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL11038225 | 0.90 | CTSK (0.75) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11400294 | 0.82 | CTSK (0.66) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27834965 | 0.82 | CA2 (0.48) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12800878 | 0.82 | PLCG1 (0.55) | CTSKCYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL19750738 | 0.82 | PLCG1 (0.55) | CTSKCYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL6465527 | 0.82 | PSIP1 (0.56) | CTSKALDH1A1KMT2ATLR9HSD17B10 | |
| SCHEMBL10810760 | 0.81 | CTSK (1.00) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19578950 | 0.81 | ALDH1A1 (0.60) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28173791 | 0.81 | CTSK (0.64) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29149686 | 0.81 | CTSK (0.64) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 |
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-107200702-B | Diaryl sulfide derivative, preparation method and the purposes as Serotonin Transporter targeted contrast agents | 北京师范大学 | 2019-05-07 | — | — | CN | disclosed |
| CN-107200702-A | Diaryl sulfide derivative, its preparation method and the purposes as Serotonin Transporter targeted contrast agents | 北京师范大学 | 2017-09-26 | — | — | CN | disclosed |
| US-4343952-A | SULFONATION OF DIENE WITH SULFINATE, PALLADIUM CATALYST | AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) | 1982-08-10 | — | — | US | disclosed |