Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.41 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24200393 | 0.82 | RET (0.40) | ALDH1A1LMNAATMTDP1PTPN1 | |
| SCHEMBL17122538 | 0.80 | ALKBH5 (0.44) | ALKBH5FTOHSP90AA1IDO1GPR3 | |
| SCHEMBL14956671 | 0.80 | BCHE (0.48) | ALKBH5FTOHSP90AA1IDO1GPR3 | |
| SCHEMBL20147219 | 0.80 | AHR (0.42) | ALKBH5FTOALDH1A1HSP90AA1IDO1 | |
| SCHEMBL27992165 | 0.79 | HSP90AA1 (0.50) | ALKBH5FTOALDH1A1HSP90AA1IDO1 | |
| SCHEMBL24200436 | 0.76 | KDM4E (0.40) | ALDH1A1IMPDH2AHRMCL1LMNA | |
| SCHEMBL18014941 | 0.76 | ALKBH5 (0.49) | ALKBH5FTOALDH1A1HSP90AA1IDO1 | |
| SCHEMBL12938254 | 0.73 | MCL1 (0.64) | ALKBH5FTOHSP90AA1IDO1GPR3 | |
| SCHEMBL20158850 | 0.73 | NPC1 (0.33) | ALDH1A1TDP1MAPTKDM4EMEN1 | |
| SCHEMBL3340225 | 0.72 | ALKBH5 (0.51) | ALKBH5FTOALDH1A1HSP90AA1IDO1 |
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-3538529-B1 | SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS | MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) | 2022-01-19 | — | — | EP | disclosed |