Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL12414402 | 0.88 | ALDH1A1 (0.64) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL12763726 | 0.88 | CHRNB2 (0.56) | ALDH1A1CHRNB2CHRNA4KDM4EHRH3 | |
| SCHEMBL12910454 | 0.81 | CHRNB2 (0.50) | ALDH1A1TSHRTDP1CHRNB2CHRNA4 | |
| SCHEMBL24722772 | 0.80 | ALDH1A1 (0.54) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL7297585 | 0.79 | PYCR1 (0.59) | ALDH1A1CHRNB2CHRNA4KDM4ECNR2 | |
| SCHEMBL12837021 | 0.79 | HRH3 (0.67) | ALDH1A1CHRNB2CHRNA4KDM4ECNR2 | |
| SCHEMBL384906 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL171946 | 0.77 | PYCR1 (0.60) | ALDH1A1CHRNB2CHRNA4RAB9AKDM4E | |
| SCHEMBL3148019 | 0.77 | MAPT (0.52) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL23555605 | 0.77 | PYCR1 (0.60) | ALDH1A1CHRNB2CHRNA4KDM4EHRH3 |
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-3041841-B1 | TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2019-06-05 | — | — | EP | disclosed |