Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | APLNR | P35414 | 2/20 | 0.41 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | BMP1 | P13497 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3819599 | 0.93 | ALDH1A1 (0.52) | CA1CA2ACHEALDH1A1HDAC8 | |
| SCHEMBL171784 | 0.76 | LDHA (0.50) | CA1CA2ACHELDHAALDH1A1 | |
| SCHEMBL752330 | 0.75 | LDHA (0.49) | CA1CA2LDHAALDH1A1APLNR | |
| SCHEMBL752240 | 0.75 | PLCG1 (0.49) | CA1CA2ACHELDHAALDH1A1 | |
| SCHEMBL13926854 | 0.72 | SLC6A4 (0.49) | CA1CA2ACHECYP1A2CYP2D6 | |
| SCHEMBL2717301 | 0.72 | KMT2A (0.57) | CA1CA2ALDH1A1APLNRPLCG1 | |
| SCHEMBL21959474 | 0.70 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C19LDHAALDH1A1 | |
| SCHEMBL294919 | 0.70 | APLNR (0.53) | CA1CA2ALDH1A1APLNRPLCG1 | |
| SCHEMBL30496480 | 0.70 | PKM (0.56) | CA1CA2ACHEALDH1A1APLNR | |
| SCHEMBL3237396 | 0.70 | PKM (0.56) | CA1CA2ACHEALDH1A1APLNR |
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-2091527-A2 | SULFIDE, SULFOXIDE AND SULFONE CHALCONE ANALOGUES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF | Temple University of the Commonwealth System of Higher Education (US) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008076270-A2 | SULFIDE, SULFOXIDE AND SULFONE CHALCONE ANALOGUES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF | TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2008-06-26 | — | — | WO | disclosed |