Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Abietic 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 | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.92 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.92 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.92 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.92 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.92 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.92 |
| ▸ | LMNA | P02545 | 2/20 | 0.92 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.92 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.92 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.92 |
| ▸ | MAPT | P10636 | 2/20 | 0.92 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.92 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.92 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.92 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.92 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.92 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.92 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.71 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Abietic Acid SCHEMBL8898401 | 1.00 | HSD17B10 (0.92) | HSD17B10ALOX15PDK1PDK2PDK3 | |
| Abietic Acid SCHEMBL14706813 | 0.96 | HSD17B10 (1.00) | HSD17B10ALOX15PDK1PDK2PDK3 | |
| Abietic Acid SCHEMBL16268652 | 0.96 | HSD17B10 (1.00) | HSD17B10ALOX15PDK1PDK2PDK3 | |
| Abietic Acid SCHEMBL9927252 | 0.96 | HSD17B10 (1.00) | HSD17B10ALOX15PDK1PDK2PDK3 | |
| Abietic Acid SCHEMBL19798150 | 0.96 | HSD17B10 (1.00) | HSD17B10ALOX15PDK1PDK2PDK3 | |
| Abietic Acid SCHEMBL10038576 | 0.96 | HSD17B10 (1.00) | HSD17B10ALOX15PDK1PDK2PDK3 | |
| Abietic Acid SCHEMBL678976 | 0.96 | HSD17B10 (1.00) | HSD17B10ALOX15PDK1PDK2PDK3 | |
| Abietic Acid SCHEMBL14700492 | 0.96 | HSD17B10 (1.00) | HSD17B10ALOX15PDK1PDK2PDK3 | |
| Abietic Acid SCHEMBL28888 | 0.96 | HSD17B10 (1.00) | HSD17B10ALOX15PDK1PDK2PDK3 | |
| Abietic Acid SCHEMBL9892651 | 0.96 | HSD17B10 (1.00) | HSD17B10ALOX15PDK1PDK2PDK3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108782606-B | Rosin-based terpene-titanium dioxide hybrid nano material, preparation method and antibacterial application thereof | 北京林业大学 | 2020-11-06 | — | — | CN | disclosed |
| EP-0721485-A4 | CORRECTION AND MARKING MATERIALS | GILLETTE CO (US) | 1997-07-16 | — | — | EP | disclosed |
| EP-0759904-A1 | PROCESS AND DIASTEREOMERIC SALTS USEFUL FOR THE OPTICAL RESOLUTION OF RACEMIC ALPHA-[4-(1,1-DIMETHYLETHYL)PHENYL]-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINEBUTANOL AND DERIVATIVE COMPOUNDS | MERRELL PHARMACEUTICALS INC. (US) | 1997-03-05 | — | — | EP | disclosed |
| EP-0721485-A1 | CORRECTION AND MARKING MATERIALS | THE GILLETTE COMPANY (US) | 1996-07-17 | — | — | EP | disclosed |
| WO-1995031436-A1 | PROCESS AND DIASTEREOMERIC SALTS USEFUL FOR THE OPTICAL RESOLUTION OF RACEMIC α-[4-(1,1-DIMETHYLETHYL)PHENYL]-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINEBUTANOL AND DERIVATIVE COMPOUNDS | MERRELL PHARMACEUTICALS INC. (US) | 1995-11-23 | — | — | WO | disclosed |
| WO-1995009205-A1 | CORRECTION AND MARKING MATERIALS | THE GILLETTE COMPANY (US) | 1995-04-06 | — | — | WO | disclosed |