Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 5/20 | 0.48 |
| ▸ | MMP1 | P03956 | 4/20 | 0.48 |
| ▸ | MMP2 | P08253 | 4/20 | 0.48 |
| ▸ | MMP8 | P22894 | 4/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.46 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.46 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.46 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.46 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL55573 | 1.00 | MEN1 (0.52) | MEN1ALDH1A1KMT2AEPHX2MMP9 | |
| SCHEMBL29922190 | 1.00 | MEN1 (0.52) | MEN1ALDH1A1KMT2AEPHX2MMP9 | |
| SCHEMBL29502115 | 1.00 | MEN1 (0.52) | MEN1ALDH1A1KMT2AEPHX2MMP9 | |
| SCHEMBL57180 | 1.00 | MEN1 (0.52) | MEN1ALDH1A1KMT2AEPHX2MMP9 | |
| SCHEMBL5432481 | 1.00 | MEN1 (0.52) | MEN1ALDH1A1KMT2AEPHX2MMP9 | |
| SCHEMBL56008 | 1.00 | MEN1 (0.52) | MEN1ALDH1A1KMT2AEPHX2MMP9 | |
| SCHEMBL29381250 | 1.00 | MEN1 (0.52) | MEN1ALDH1A1KMT2AEPHX2MMP9 | |
| SCHEMBL57241 | 1.00 | MEN1 (0.52) | MEN1ALDH1A1KMT2AEPHX2MMP9 | |
| SCHEMBL22787577 | 1.00 | MEN1 (0.52) | MEN1ALDH1A1KMT2AEPHX2MMP9 | |
| SCHEMBL9680488 | 0.88 | EPHX2 (0.47) | MEN1ALDH1A1KMT2AEPHX2NAMPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3810283-B1 | SOLID FORMS OF THE TARTRATE SALT OF 3-((1R,3R)-1-(2,6-DIFLUORO-4-((1-(3-FLUOROPROPYL)AZETIDIN-3-YL)AMINO)PHENYL)-3-METHYL-1,3,4,9-TETRAHYDRO-2H-PYRIDO[3,4-B]INDOL-2-YL)-2,2-DIFLUOROPROPAN-1-OL, PROCESS FOR THEIR PREPARATION AND METHODS OF THEIR USE IN TREATING CANCERS | HOFFMANN LA ROCHE (CH) | 2023-06-14 | — | — | EP | disclosed |