Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | SIRT2 | Q8IXJ6 | 5/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HK1 | P19367 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 4/20 | 0.41 |
| ▸ | HRH1 | P35367 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL14067971 | 0.90 | SIRT2 (0.54) | CYP3A4SIRT2SIRT1HTR6HRH1 | |
| SCHEMBL14067843 | 0.90 | CYP3A4 (0.52) | CYP3A4SIRT2SIRT1ALDH1A1HK1 | |
| SCHEMBL14067969 | 0.85 | KDM4E (0.53) | SIRT2SIRT1ALDH1A1CNR2KDM4E | |
| SCHEMBL14067855 | 0.85 | CYP3A4 (0.59) | CYP3A4SIRT2SIRT1ALDH1A1KDM4E | |
| SCHEMBL14216298 | 0.84 | HSD17B10 (0.51) | CYP3A4SIRT2SIRT1HTR6HRH1 | |
| SCHEMBL3724842 | 0.82 | HTR6 (0.62) | GRIN2BHTR6HRH1 | |
| SCHEMBL14067970 | 0.80 | HDAC1 (0.40) | CYP3A4SIRT2SIRT1ALDH1A1CNR2 | |
| SCHEMBL14067842 | 0.79 | HSD17B10 (0.57) | CYP3A4SIRT2SIRT1ALDH1A1PTGS1 | |
| SCHEMBL15549479 | 0.78 | SIRT2 (0.68) | CYP3A4SIRT2SIRT1HTR6HRH1 | |
| Hydrochloric Acid SCHEMBL3084042 | 0.77 | PTGDR2 (0.56) | CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008115098-A2 | SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND THE USE THEREOF | ALLA CHEM, LLC (US) | 2008-09-25 | — | — | WO | disclosed |