Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16160316 | 0.84 | KDM4E (0.44) | CYP1A1CYP1A2CYP1B1CYP2C19ALDH1A1 | |
| SCHEMBL496357 | 0.84 | CA12 (0.44) | CYP1A1CYP1A2CYP1B1ALDH1A1ALOX15 | |
| SCHEMBL1380868 | 0.83 | ALDH1A1 (0.50) | CYP1A1CYP1A2CYP1B1CYP2C19ALDH1A1 | |
| SCHEMBL1398744 | 0.80 | NPC1 (0.48) | ALDH1A1GLAKMT2AKDM4EMAPT | |
| SCHEMBL6676335 | 0.78 | TSHR (0.54) | ALDH1A1GLAKDM4EMAPTHPGD | |
| SCHEMBL8286028 | 0.72 | AHR (0.42) | CYP1A1CYP1A2CYP1B1ALDH1A1ACHE | |
| SCHEMBL2268151 | 0.72 | MAOA (0.44) | CYP1A1CYP1A2CYP1B1CYP2C19ALOX15 | |
| SCHEMBL4586087 | 0.71 | ALDH1A1 (0.53) | ALDH1A1GLAALOX15KDM4EMAPT | |
| SCHEMBL433952 | 0.71 | CYP1A2 (0.46) | CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E | |
| SCHEMBL4586057 | 0.70 | ALOX5 (0.48) | CYP2C19ALDH1A1GLAALOX15MEN1 |
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-2013033310-A1 | MODULATORS OF REV-ERB | KAMENECKA THEODORE MARK (US) | 2013-03-07 | — | — | WO | disclosed |