Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Isonicotinonitrile. 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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | ACR | P10323 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 2/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL135343 | 0.84 | LMNA (0.57) | GAAALDH1A1MAPTLMNAHTT | |
| Benzonitrile SCHEMBL28231507 | 0.83 | ALDH1A1 (0.50) | GAAALDH1A1MAPTLMNAHTT | |
| Benzonitrile SCHEMBL30798086 | 0.83 | ALDH1A1 (0.50) | GAAALDH1A1MAPTLMNAHTT | |
| P-Xylene SCHEMBL8426009 | 0.82 | CYP2A6 (0.68) | GAAALDH1A1TDP1CYP2A6BCHE | |
| SCHEMBL29184436 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MAPTLMNAHTTSMN1; SMN2 | |
| Pyridine SCHEMBL28273071 | 0.81 | ALDH1A1 (0.51) | GAAALDH1A1MAPTLMNAHTT | |
| Pyridine SCHEMBL15271067 | 0.80 | NAPRT (0.46) | GAAALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| Pyridine SCHEMBL5968326 | 0.80 | ALDH1A1 (0.57) | GAAALDH1A1MAPTLMNAHTT | |
| Acetonitrile SCHEMBL318491 | 0.79 | ALDH1A1 (0.52) | GAAALDH1A1MAPTLMNAHTT | |
| Acetonitrile SCHEMBL17474635 | 0.79 | ALDH1A1 (0.52) | GAAALDH1A1MAPTLMNAHTT |
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-4161942-A1 | IMPROVED OLIGONUCLEOTIDE SYNTHESIS | Bachem Holding AG (CH) | 2023-04-12 | — | — | EP | disclosed |
| WO-2022195111-A1 | IMPROVED OLIGONUCLEOTIDE SYNTHESIS | BACHEM HOLDING AG (CH) | 2022-09-22 | — | — | WO | disclosed |