Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | CTSL | P07711 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.49 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | P4HB | P07237 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | SSTR3 | P32745 | 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 | |
|---|---|---|---|---|
| SCHEMBL29378369 | 1.00 | MAPT (0.50) | MAPTMEN1KMT2AHTR2AHTR2C | |
| SCHEMBL23126845 | 1.00 | MAPT (0.50) | MAPTMEN1KMT2AHTR2AHTR2C | |
| Trimethylammonium SCHEMBL9095683 | 0.96 | MAPT (0.47) | MAPTMEN1KMT2AHTR2AHTR2C | |
| SCHEMBL13301913 | 0.87 | MAPT (0.49) | MAPTMEN1KMT2AHTR2AHTR2C | |
| SCHEMBL4115920 | 0.86 | MAPT (0.53) | MAPTMEN1KMT2ACTSLTP53 | |
| SCHEMBL13301919 | 0.86 | CTSL (0.53) | MAPTMEN1KMT2ACTSLTP53 | |
| SCHEMBL3800407 | 0.86 | MAPT (0.53) | MAPTMEN1KMT2ACTSLTP53 | |
| SCHEMBL13301911 | 0.86 | MAPT (0.48) | MAPTMEN1KMT2ACTSLTP53 | |
| SCHEMBL7983683 | 0.85 | TRPV1 (0.51) | MAPTHTR2AHTR2CHTR2BCTSL | |
| SCHEMBL13301895 | 0.84 | MAPT (0.45) | MAPTMEN1KMT2AHTR2AHTR2C |
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 |
|---|---|---|---|---|---|---|---|
| CN-112437685-A | Solid forms 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 and methods of making fused tricyclic compounds containing a substituted phenyl or pyridinyl moiety, including methods of use thereof | 豪夫迈·罗氏有限公司 | 2021-03-02 | — | — | CN | disclosed |