Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | AHR | P35869 | 1/20 | 0.57 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 6/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | NSD2 | O96028 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.49 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL329575 | 0.92 | ALOX5 (0.62) | MAOBALOX5NSD2ABL1PPARG | |
| SCHEMBL16808913 | 0.88 | MAOB (0.60) | CYP2A6AHRNR4A2MAOBMAOA | |
| Indole SCHEMBL15320969 | 0.87 | ALOX5 (0.61) | AHRMAOBALOX5NSD2ABL1 | |
| SCHEMBL2636350 | 0.84 | ALOX5 (0.73) | MAOBALOX5CYP1A2MAOA | |
| SCHEMBL29576561 | 0.84 | ALOX5 (0.73) | MAOBALOX5CYP1A2MAOA | |
| Pyridine SCHEMBL28518713 | 0.84 | ALOX5 (0.53) | MAOBALOX5NSD2ABL1PPARG | |
| Hexane SCHEMBL27537617 | 0.84 | ALOX5 (0.53) | MAOBALOX5NSD2ABL1PPARG | |
| SCHEMBL9525385 | 0.84 | ALOX5 (0.53) | MAOBALOX5NSD2ABL1PPARG | |
| SCHEMBL5077381 | 0.82 | ALOX5 (0.50) | MAOBALOX5NSD2ABL1PPARG | |
| SCHEMBL3901006 | 0.81 | NPC1 (0.64) | MAOBALOX5NSD2ABL1PPARG |
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-2000053313-A2 | LANTHANIDE CATALYSTS FOR SYNTHESIS OF COMPOUNDS AND COMBINATORIAL LIBRARIES | ARQULE, INC. (US) | 2000-09-14 | — | — | WO | disclosed |