Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nicotinaldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | JUN | P05412 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.55 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | APAF1 | O14727 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Nicotinaldehyde SCHEMBL9005450 | 1.00 | MAPT (0.55) | MAPTKDM4ERAB9ANPC1JUN | |
| Nicotinaldehyde SCHEMBL28383849 | 0.90 | MAPT (0.56) | MAPTKDM4ERAB9ANPC1JUN | |
| Nicotinaldehyde SCHEMBL28290769 | 0.90 | MAPT (0.56) | MAPTKDM4ERAB9ANPC1JUN | |
| Nicotinaldehyde SCHEMBL28069499 | 0.88 | ALDH1A1 (0.58) | MAPTKDM4ERAB9ANPC1JUN | |
| Nicotinaldehyde SCHEMBL29364000 | 0.88 | — | — | |
| Nicotinaldehyde SCHEMBL55950 | 0.88 | — | — | |
| Nicotinaldehyde SCHEMBL4595065 | 0.86 | ALDH1A1 (0.54) | MAPTKDM4ERAB9ANPC1JUN | |
| Nicotinaldehyde SCHEMBL28267384 | 0.86 | CYP11B2 (0.57) | MAPTKDM4ERAB9ANPC1JUN | |
| Nicotinaldehyde SCHEMBL3636771 | 0.86 | — | — | |
| Nicotinaldehyde SCHEMBL28670391 | 0.86 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0738145-A1 | PHARMACEUTICAL COMPOSITIONS | NORSK HYDRO a.s. (NO) | 1996-10-23 | — | — | EP | disclosed |
| WO-1995018607-A1 | PHARMACEUTICAL COMPOSITIONS | NORSK HYDRO A.S (NO) | 1995-07-13 | — | — | WO | disclosed |