Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TLR4 | O00206 | 1/20 | 0.30 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.30 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.30 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL108955 | 0.88 | — | — | |
| SCHEMBL21940867 | 0.88 | — | — | |
| SCHEMBL29044517 | 0.88 | — | — | |
| SCHEMBL21940866 | 0.88 | — | — | |
| SCHEMBL29044493 | 0.88 | — | — | |
| SCHEMBL24150524 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL27555310 | 0.86 | GNAI3 (0.35) | GNAI3GNAO1GNAI1 | |
| Hydrochloric Acid SCHEMBL5324439 | 0.86 | GNAI3 (0.35) | GNAI3GNAO1GNAI1 | |
| Hydrochloric Acid SCHEMBL1992978 | 0.86 | GNAI3 (0.35) | GNAI3GNAO1GNAI1 | |
| Formic Acid SCHEMBL28931254 | 0.85 | SMYD3 (0.30) | SMYD3 |
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-113614069-B | Process for preparing (3R, 4R) -1-benzyl-N, 4-dimethylpiperidin-3-amine or a salt thereof and process for preparing tofacitinib using the same | 柳韩洋行 | 2024-05-28 | — | — | CN | claimed |
| CN-113614069-A | Process for preparing (3R,4R) -1-benzyl-N, 4-dimethylpiperidin-3-amine or a salt thereof and process for preparing tofacitinib using the same | 柳韩洋行 | 2021-11-05 | — | — | CN | claimed |
| CN-113614069-B | Process for preparing (3R, 4R) -1-benzyl-N, 4-dimethylpiperidin-3-amine or a salt thereof and process for preparing tofacitinib using the same | 柳韩洋行 | 2024-05-28 | — | — | CN | disclosed |
| CN-113614069-B | Process for preparing (3R, 4R) -1-benzyl-N, 4-dimethylpiperidin-3-amine or a salt thereof and process for preparing tofacitinib using the same | 柳韩洋行 | 2024-05-28 | — | — | CN | disclosed |
| CN-113614069-A | Process for preparing (3R,4R) -1-benzyl-N, 4-dimethylpiperidin-3-amine or a salt thereof and process for preparing tofacitinib using the same | 柳韩洋行 | 2021-11-05 | — | — | CN | disclosed |
| CN-113614069-A | Process for preparing (3R,4R) -1-benzyl-N, 4-dimethylpiperidin-3-amine or a salt thereof and process for preparing tofacitinib using the same | 柳韩洋行 | 2021-11-05 | — | — | CN | disclosed |