Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19248476 | 0.88 | TAAR1 (0.44) | TAAR1ALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL22446673 | 0.86 | NPC1 (0.37) | ALDH1A1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL19248449 | 0.85 | CYP2C19 (0.37) | TAAR1ALDH1A1ALOX5KDM4ECYP1A2 | |
| SCHEMBL17791258 | 0.78 | ALOX5 (0.45) | ALDH1A1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL17693429 | 0.77 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL15546625 | 0.77 | TAAR1 (0.39) | TAAR1ALDH1A1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL19248483 | 0.76 | MEN1 (0.38) | TAAR1ALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL19396000 | 0.76 | TAAR1 (0.39) | TAAR1ALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL19248484 | 0.75 | MAOA (0.39) | TAAR1ALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL18364673 | 0.73 | CYP2A6 (0.43) | ALOX5CYP1A2CYP3A4CYP2C19 |
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-2016022943-A2 | NOVEL MONOMERS FROM BIOMASS | NDSU RESEARCH FOUNDATION (US) | 2016-02-11 | — | — | WO | disclosed |