Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Orotic Acid. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.88 |
| ▸ | LMNA | P02545 | 1/20 | 0.88 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Orotic Acid SCHEMBL29394966 | 0.94 | ALDH1A1 (1.00) | ALDH1A1LMNACYP1A2CYP2C19SMN1; SMN2 | |
| Orotic Acid SCHEMBL431534 | 0.94 | ALDH1A1 (1.00) | ALDH1A1LMNACYP1A2CYP2C19SMN1; SMN2 | |
| Orotic Acid SCHEMBL20865 | 0.94 | ALDH1A1 (1.00) | ALDH1A1LMNACYP1A2CYP2C19SMN1; SMN2 | |
| Orotic Acid SCHEMBL2293911 | 0.91 | ALDH1A1 (0.95) | ALDH1A1LMNACYP1A2CYP2C19SMN1; SMN2 | |
| Orotic Acid SCHEMBL122311 | 0.91 | ALDH1A1 (0.95) | ALDH1A1LMNACYP1A2CYP2C19SMN1; SMN2 | |
| Orotic Acid SCHEMBL23859825 | 0.91 | ALDH1A1 (0.95) | ALDH1A1LMNACYP1A2CYP2C19SMN1; SMN2 | |
| Orotic Acid SCHEMBL422602 | 0.91 | ALDH1A1 (0.95) | ALDH1A1LMNACYP1A2CYP2C19SMN1; SMN2 | |
| Orotic Acid SCHEMBL1005001 | 0.91 | ALDH1A1 (0.95) | ALDH1A1LMNACYP1A2CYP2C19SMN1; SMN2 | |
| Orotic Acid SCHEMBL231368 | 0.91 | ALDH1A1 (0.95) | ALDH1A1LMNACYP1A2CYP2C19SMN1; SMN2 | |
| Orotic Acid SCHEMBL16194628 | 0.91 | ALDH1A1 (0.95) | ALDH1A1LMNACYP1A2CYP2C19SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3379952-A1 | NICOTINE SALTS, CO-CRYSTALS, AND SALT CO-CRYSTAL COMPLEXES | R. J. Reynolds Tobacco Company (US) | 2018-10-03 | — | — | EP | disclosed |
| WO-2017089931-A1 | NICOTINE SALTS, CO-CRYSTALS, AND SALT CO-CRYSTAL COMPLEXES | R. J. REYNOLDS TOBACCO COMPANY (US) | 2017-06-01 | — | — | WO | disclosed |