Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8425830 | 0.81 | SMN1; SMN2 (0.45) | CYP1A1CYP1B1CYP19A1MAPTALDH1A1 | |
| SCHEMBL22571315 | 0.80 | CYP1A1 (0.46) | CYP1A1CYP1B1CYP19A1AOC3MAPT | |
| SCHEMBL30701949 | 0.78 | CA9 (0.50) | CYP1A1CYP1B1CYP19A1ABCG2AOC3 | |
| SCHEMBL3674074 | 0.78 | CA9 (0.50) | CYP1A1CYP1B1CYP19A1ABCG2AOC3 | |
| SCHEMBL7055367 | 0.75 | CYP1A1 (0.39) | CYP1A1CYP1B1CYP19A1ABCG2AOC3 | |
| SCHEMBL4635687 | 0.72 | AOC3 (0.41) | CYP1A1CYP1B1CYP19A1ABCG2AOC3 | |
| SCHEMBL28322511 | 0.71 | CYP1A1 (0.44) | CYP1A1CYP1B1CYP19A1ABCG2AOC3 | |
| SCHEMBL324648 | 0.70 | CYP1A1 (0.40) | CYP1A1CYP1B1CYP19A1ABCG2AOC3 | |
| SCHEMBL17041605 | 0.70 | HTR2A (0.47) | AOC3MAPTALDH1A1KMT2AKDM4E | |
| SCHEMBL17041606 | 0.70 | AR (0.47) | AOC3MAPTPOLBKMT2ANPC1 |
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-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |