Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | GLA | P06280 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5422529 | 0.84 | KDM4E (0.47) | ALDH1A1L3MBTL1KDM4EGLAGAA | |
| SCHEMBL6204224 | 0.83 | TYMS (0.37) | ALDH1A1L3MBTL1TYMSKDM4EGLA | |
| SCHEMBL6203701 | 0.81 | ALDH1A1 (0.36) | ALDH1A1L3MBTL1TYMSKDM4EGLA | |
| SCHEMBL6200358 | 0.79 | MAPT (0.36) | ALDH1A1L3MBTL1TYMSKDM4EGLA | |
| SCHEMBL6204660 | 0.78 | MAOB (0.36) | ALDH1A1L3MBTL1TYMSKDM4EGLA | |
| SCHEMBL6204171 | 0.76 | ALDH1A1 (0.38) | ALDH1A1L3MBTL1TYMSKDM4EGLA | |
| SCHEMBL4043160 | 0.75 | PPARG (0.43) | ALDH1A1L3MBTL1NPC1CASP3RAB9A | |
| SCHEMBL5421908 | 0.75 | CYP2A6 (0.38) | ALDH1A1KDM4EMAPTATMMAPK1 | |
| SCHEMBL4047340 | 0.74 | PPARG (0.44) | ALDH1A1L3MBTL1CASP3SENP7SENP6 | |
| SCHEMBL4045987 | 0.74 | HDAC3 (0.41) | ALDH1A1KDM4EKMT2AMEN1HPGD |
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-1492795-B1 | 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF | PLIVA ISTRAZIVACKI INST D O O (HR) | 2005-11-16 | — | — | EP | claimed |