Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Chaulmoogric 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.62 |
| ▸ | USP2 | O75604 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | SAE1 | Q9UBE0 | 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 | |
|---|---|---|---|---|
| Chaulmoogric Acid SCHEMBL15865189 | 1.00 | ALDH1A1 (0.62) | ALDH1A1TDP1ALOX15USP2TSHR | |
| SCHEMBL2491883 | 0.95 | ALDH1A1 (0.63) | ALDH1A1TDP1ALOX15USP2TSHR | |
| SCHEMBL2494531 | 0.95 | ALDH1A1 (0.63) | ALDH1A1TDP1ALOX15USP2TSHR | |
| Chaulmoogric Acid SCHEMBL560848 | 0.95 | ALDH1A1 (0.63) | ALDH1A1TDP1ALOX15USP2TSHR | |
| SCHEMBL4558351 | 0.95 | ALDH1A1 (0.63) | ALDH1A1TDP1ALOX15USP2TSHR | |
| SCHEMBL580439 | 0.95 | ALDH1A1 (0.63) | ALDH1A1TDP1ALOX15USP2TSHR | |
| Chaulmoogric Acid SCHEMBL560849 | 0.95 | ALDH1A1 (0.63) | ALDH1A1TDP1ALOX15USP2TSHR | |
| Chaulmoogric Acid SCHEMBL560850 | 0.95 | ALDH1A1 (0.63) | ALDH1A1TDP1ALOX15USP2TSHR | |
| SCHEMBL29517121 | 0.95 | ALDH1A1 (0.63) | ALDH1A1TDP1ALOX15USP2TSHR | |
| SCHEMBL580438 | 0.95 | ALDH1A1 (0.63) | ALDH1A1TDP1ALOX15USP2TSHR |
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-2941437-A1 | PREPARATIONS OF HYDROPHOBIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE AND USE THEREOF | Aciex Therapeutics, Inc. (US) | 2015-11-11 | — | — | EP | disclosed |
| WO-2014107231-A1 | PREPARATIONS OF HYDROPHOBIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE AND USE THEREOF | ACIEX THERAPEUTICS, INC. (US) | 2014-07-10 | — | — | WO | disclosed |