Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7025969 | 0.80 | APP (0.46) | MAOBMAPTTDP1RAB9ASMN1; SMN2 | |
| SCHEMBL5601610 | 0.73 | TSHR (0.40) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL2178447 | 0.72 | LTA4H (0.42) | TSHRMAOBMAPTMAOA | |
| SCHEMBL4639726 | 0.71 | — | — | |
| SCHEMBL854325 | 0.70 | APP (0.41) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL1557213 | 0.69 | TSHR (0.40) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| Benzylphenylether SCHEMBL28687993 | 0.69 | CYP1A2 (0.53) | LMNACYP1A2PTGS1SLC6A2CYP2C19 | |
| SCHEMBL5805663 | 0.68 | — | — | |
| SCHEMBL8583040 | 0.67 | MAOA (0.38) | SLC6A3MAOBTDP1MAOASMN1; SMN2 | |
| SCHEMBL10818962 | 0.67 | HTR1B (0.30) | — |
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-2002024651-A1 | A PROCESS FOR PRODUCING 2-AMINO-4,6-DISUBSTITUTED NICOTINIC ACID ESTER ANALOGS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-28 | — | — | WO | disclosed |