Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | IDH1 | O75874 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | MMP12 | P39900 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6709375 | 0.91 | ALDH1A1 (0.73) | ALDH1A1CYP3A4IDH1RAB9AKDM4E | |
| SCHEMBL16154053 | 0.84 | ALDH1A1 (0.63) | ALDH1A1CYP3A4IDH1RAB9AKDM4E | |
| SCHEMBL7671540 | 0.84 | ALDH1A1 (0.63) | ALDH1A1CYP3A4IDH1RAB9AKDM4E | |
| SCHEMBL801397 | 0.84 | ALDH1A1 (0.63) | ALDH1A1CYP3A4IDH1RAB9AKDM4E | |
| SCHEMBL7671543 | 0.84 | ALDH1A1 (0.63) | ALDH1A1CYP3A4IDH1HTTRAB9A | |
| SCHEMBL2659547 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP3A4HTTKDM4EMMP2 | |
| SCHEMBL990642 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP3A4IDH1RAB9AKDM4E | |
| SCHEMBL31160231 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP3A4IDH1RAB9AKDM4E | |
| SCHEMBL31139242 | 0.82 | ALDH1A1 (0.43) | ALDH1A1MMP2MMP9MMP12MMP1 | |
| SCHEMBL27664520 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP3A4IDH1MIFMAOB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2984117-B1 | VITAMIN FUNCTIONALIZED GEL-FORMING BLOCK COPOLYMERS FOR BIOMEDICAL APPLICATIONS | IBM (US) | 2018-04-25 | — | — | EP | disclosed |
| CN-102348682-B | 1,1,1-trifluoro-2-hydroxypropyl compounds | HOFFMANN LA ROCHE | 2014-07-30 | — | — | CN | disclosed |
| CN-101035765-B | Sulfonamide derivatives | HOFFMANN LA ROCHE | 2010-10-13 | — | — | CN | disclosed |
| CN-101747324-A | Sulfonamide derivatives | HOFFMANN LA ROCHE | 2010-06-23 | — | — | CN | disclosed |
| CN-101035765-A | Sulfonamide derivatives | HOFFMANN LA ROCHE (CH) | 2007-09-12 | — | — | CN | disclosed |