Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11711549 | 0.79 | MEN1 (0.45) | ALDH1A1MEN1KMT2AKDM4EPOLB | |
| SCHEMBL8409661 | 0.79 | LMNA (0.38) | ALDH1A1MEN1KMT2AKDM4EPOLB | |
| SCHEMBL260819 | 0.78 | MEN1 (0.47) | ALDH1A1MEN1KMT2AKDM4EPOLB | |
| SCHEMBL31244372 | 0.78 | MEN1 (0.47) | ALDH1A1MEN1KMT2AKDM4EPOLB | |
| SCHEMBL27702804 | 0.77 | MEN1 (0.46) | ALDH1A1MEN1KMT2AKDM4EPOLB | |
| SCHEMBL10891319 | 0.76 | KEAP1 (0.40) | ALDH1A1MEN1KMT2AKDM4EPOLB | |
| SCHEMBL9432136 | 0.74 | CA2 (0.49) | ALDH1A1KMT2AHPGDKEAP1NFE2L2 | |
| SCHEMBL5166438 | 0.74 | MYC (0.41) | ALDH1A1MEN1KMT2AKDM4EPOLB | |
| SCHEMBL8338643 | 0.74 | CA1 (0.46) | ALDH1A1MEN1KMT2AKDM4EESR1 | |
| SCHEMBL30131228 | 0.74 | MYC (0.41) | ALDH1A1MEN1KMT2AKDM4EPOLB |
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-113382981-A | Disulfide compounds | 尼姆生物科技有限公司 | 2021-09-10 | — | — | CN | disclosed |
| US-5296505-A | Reacting dithianepropenol with ethynyl-beta-ionol in presence of organomagnesium compound, hydrogenating triple bond, reducing diol with low-valency titanium | L'OREAL (FR) | 1994-03-22 | — | — | US | disclosed |
| US-5296611-A | Propenals substituted with a dithiane ring and processes for the preparation of these propenals | L'OREAL (FR) | 1994-03-22 | — | — | US | disclosed |