Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 3/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.42 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | DNMT1 | P26358 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6541615 | 0.80 | MAPK1 (0.54) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL20391963 | 0.77 | MAPK1 (0.50) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL7219324 | 0.77 | PABPC1 (0.58) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL27778692 | 0.75 | ALDH1A1 (0.47) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL4982952 | 0.73 | HSD17B10 (0.45) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL14842334 | 0.72 | ALDH1A1 (0.39) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL31749078 | 0.72 | ALDH1A1 (0.64) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL4071126 | 0.72 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TSHRL3MBTL1CYP3A4 | |
| SCHEMBL7958403 | 0.71 | ALDH1A1 (0.42) | ALDH1A1HSD17B10MAPK1TSHRATM | |
| SCHEMBL5894722 | 0.71 | ALDH1A1 (0.56) | ALDH1A1HSD17B10MAPK1TSHRATM |
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 |
|---|---|---|---|---|---|---|---|
| US-6635786-B2 | Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use | GUILFORD PHARMACEUTICALS, INC. | 2003-10-21 | — | — | US | disclosed |