Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | GAA | P10253 | 6/20 | 0.57 |
| ▸ | GLA | P06280 | 5/20 | 0.57 |
| ▸ | LCK | P06239 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CASP1 | P29466 | 3/20 | 0.47 |
| ▸ | CASP7 | P55210 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | ALPG | P10696 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL68231 | 0.91 | KDM4E (0.68) | KDM4EALDH1A1GAAGLALCK | |
| SCHEMBL31344274 | 0.84 | MCL1 (0.47) | KDM4EALDH1A1GLALCKHPGD | |
| SCHEMBL67273 | 0.84 | MCL1 (0.47) | KDM4EALDH1A1GLALCKHPGD | |
| SCHEMBL8654964 | 0.83 | KDM4E (0.56) | KDM4EALDH1A1GAAGLALCK | |
| SCHEMBL29443248 | 0.81 | CYP2D6 (0.72) | KDM4EALDH1A1LCKHPGDPOLB | |
| SCHEMBL67779 | 0.81 | CYP2D6 (0.72) | KDM4EALDH1A1LCKHPGDPOLB | |
| SCHEMBL8863327 | 0.81 | KDM4E (0.65) | KDM4EALDH1A1GAAGLALCK | |
| SCHEMBL6996933 | 0.80 | KDM4E (0.57) | KDM4EALDH1A1GAAGLALCK | |
| Phosphine SCHEMBL17375055 | 0.80 | CYP2D6 (0.70) | KDM4EALDH1A1LCKHPGDPOLB | |
| SCHEMBL8675851 | 0.78 | KDM4E (0.53) | KDM4EALDH1A1GAAGLALCK |
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-1998008839-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |