Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Pyridine. 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 | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.32 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL1079036 | 0.98 | NAPRT (0.43) | NAPRTTSHRTDP1CYP2C9CYP2C19 | |
| Pyridine SCHEMBL11013969 | 0.91 | TDP1 (0.50) | NAPRTTSHRTDP1ALDH1A1L3MBTL1 | |
| Pyridine SCHEMBL907254 | 0.90 | ALDH1A1 (0.44) | NAPRTTSHRTDP1CYP2C9CYP2C19 | |
| Pyridine SCHEMBL11518913 | 0.88 | NAPRT (0.47) | NAPRTTSHRTDP1CYP2C9CYP2C19 | |
| Pyridine SCHEMBL2273114 | 0.88 | TDP1 (0.53) | NAPRTTSHRTDP1ALDH1A1L3MBTL1 | |
| Pyridine SCHEMBL2993097 | 0.88 | ALDH1A1 (0.42) | NAPRTTSHRTDP1CYP2C9CYP2C19 | |
| Ethyl Acetate SCHEMBL11520158 | 0.87 | ALDH1A1 (0.48) | TSHRCYP2C9CYP2C19ALDH1A1CYP1A2 | |
| Pyridine SCHEMBL7422031 | 0.87 | ALDH1A1 (0.46) | NAPRTTSHRTDP1CYP2C9CYP2C19 | |
| Pyridine SCHEMBL10380397 | 0.85 | NAPRT (0.56) | NAPRTTSHRTDP1CYP2C9CYP2C19 | |
| Pyridine SCHEMBL8899457 | 0.85 | NAPRT (0.56) | NAPRTTSHRTDP1CYP2C9CYP2C19 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4990536-A | Immunopotentiator and spergualin-related compound therefor | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1991-02-05 | — | — | US | disclosed |
| US-4851446-A | SPERGUALIN-LIKE GUANIDINES | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1989-07-25 | — | — | US | disclosed |
| EP-0153720-B1 | SPERGUALIN-RELATED COMPOUNDS HAVING A PHENYLENE GROUP, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) | 1988-11-09 | — | — | EP | disclosed |
| EP-0105193-B1 | SPERGUALIN-RELATED COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS | MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) | 1988-08-24 | — | — | EP | disclosed |
| US-4556735-A | BACTERICIDE, ANTITUMOR AGENT | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) | 1985-12-03 | — | — | US | disclosed |
| US-4529549-A | Compound containing guanidine and amino groups | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1985-07-16 | — | — | US | disclosed |
| EP-0105193-A2 | Spergualin-related compounds, processes for the preparation thereof and their use as medicaments | MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) | 1984-04-11 | — | — | EP | disclosed |
| US-3988316-A | BY FERMENTATION OF MICROMONOSPORA | SCHERING CORPORATION (US) | 1976-10-26 | — | — | US | disclosed |
| US-3951746-A | CULTURING MICROMONOSPORA GRISEA TO PRODUCE VERDAMICIN I, SISOMICIN, ANTIBIOTIC G-418 AND GENTAMICIN A | SCHERING CORPORATION (US) | 1976-04-20 | — | — | US | disclosed |