Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | KDM7A | Q6ZMT4 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23014799 | 1.00 | CYP1A2 (0.39) | CYP1A2SIGMAR1NAAAALDH1A1TDP1 | |
| SCHEMBL23014863 | 0.91 | CYP1A2 (0.52) | CYP1A2SIGMAR1NAAAKDM5AKDM4C | |
| SCHEMBL23014934 | 0.91 | CYP1A2 (0.46) | CYP1A2SIGMAR1NAAAALDH1A1TDP1 | |
| SCHEMBL23014969 | 0.89 | CYP1A2 (0.56) | CYP1A2SIGMAR1NAAAKDM5AKDM4C | |
| SCHEMBL24489452 | 0.88 | CYP1A2 (0.54) | CYP1A2SIGMAR1NAAA | |
| SCHEMBL11098636 | 0.88 | ALDH1A1 (0.42) | CYP1A2ALDH1A1TDP1SPHK2SPHK1 | |
| SCHEMBL11096255 | 0.88 | CYP1A2 (0.45) | CYP1A2NAAAALDH1A1TDP1SPHK2 | |
| SCHEMBL11098067 | 0.88 | ALDH1A1 (0.42) | CYP1A2ALDH1A1TDP1SPHK2SPHK1 | |
| SCHEMBL5215905 | 0.86 | CYP1A2 (0.58) | CYP1A2SIGMAR1NAAA | |
| SCHEMBL31317651 | 0.85 | SIGMAR1 (0.42) | CYP1A2SIGMAR1NAAAALDH1A1TDP1 |
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-3173408-A1 | PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL | Taisho Pharmaceutical Co., Ltd. (JP) | 2017-05-31 | — | — | EP | disclosed |