Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 4-(2-Hydroxyethyl)Pyridine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| 4-(2-Hydroxyethyl)Pyridine SCHEMBL151648 | 0.87 | — | — | |
| 4-(2-Hydroxyethyl)Pyridine SCHEMBL10840589 | 0.85 | LOXL2 (0.50) | TDP1LOXL2CYP4F2CYP4A11SMN1; SMN2 | |
| 4-(2-Hydroxyethyl)Pyridine SCHEMBL779922 | 0.84 | LOXL2 (0.54) | TDP1LOXL2ALDH1A1CA2 | |
| 4-(2-Hydroxyethyl)Pyridine SCHEMBL26113646 | 0.84 | LOXL2 (0.54) | TDP1LOXL2ALDH1A1CA2 | |
| 4-(2-Hydroxyethyl)Pyridine SCHEMBL15229564 | 0.82 | LOXL2 (0.52) | TDP1LOXL2ALDH1A1CA2 | |
| Phenylethyl Alcohol SCHEMBL183529 | 0.80 | TDP1 (0.76) | TDP1CYP4F2CYP4A11SMN1; SMN2PPARA | |
| 4-(2-Hydroxyethyl)Pyridine SCHEMBL28644609 | 0.79 | LOXL2 (0.45) | TDP1LOXL2SMN1; SMN2RAB9ANPC1 | |
| Acetic Acid SCHEMBL15820923 | 0.79 | ALDH1A1 (0.58) | TDP1TSHRSMN1; SMN2HTTLMNA | |
| Acetic Acid SCHEMBL29251806 | 0.78 | RAB9A (0.56) | TSHRRAB9AHTTLMNAALDH1A1 | |
| Methacrylic Acid SCHEMBL1921401 | 0.78 | CYP4A11 (0.42) | LOXL2TSHRCYP4F2CYP4A11SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0330353-B1 | TETRAZOLE EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1993-04-07 | — | — | EP | disclosed |
| US-4968678-A | NERVOUS SYSTEM DISORDERS | ELI LILLY AND COMPANY (US) | 1990-11-06 | — | — | US | disclosed |
| EP-0330353-A1 | Tetrazole excitatory amino acid receptor antagonists | ELI LILLY AND COMPANY (US) | 1989-08-30 | — | — | EP | disclosed |