Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 6/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28018198 | 0.80 | CYP2A6 (0.47) | CYP2A6KDM4EFLT3LOXL2MGLL | |
| SCHEMBL24894303 | 0.72 | FLT3 (0.48) | CYP2A6KDM4EFLT3LOXL2MGLL | |
| SCHEMBL2423602 | 0.71 | — | — | |
| SCHEMBL18290416 | 0.69 | KDM4E (0.48) | CYP2A6KDM4EFLT3LOXL2MGLL | |
| SCHEMBL22766223 | 0.69 | KDM4E (0.44) | CYP2A6KDM4EFLT3LOXL2MGLL | |
| SCHEMBL18525704 | 0.69 | ALDH1A1 (0.45) | CYP2A6KDM4EFLT3LOXL2MGLL | |
| SCHEMBL11148330 | 0.68 | MAP2K2 (0.41) | CYP2A6KDM4EHSD17B10TDP1SMN1; SMN2 | |
| SCHEMBL712885 | 0.68 | MAOB (0.49) | CYP2A6KDM4EFLT3LOXL2MGLL | |
| SCHEMBL1119600 | 0.68 | — | — | |
| SCHEMBL28921526 | 0.67 | MAOB (0.45) | CYP2A6KDM4EFLT3LOXL2MGLL |
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-2006061137-A1 | GDH MUTANT HAVING IMPROVED CHEMICAL STABILITY | WACKER CHEMIE AG (DE) | 2006-06-15 | — | — | WO | disclosed |