Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 6/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3853308 | 0.93 | — | — | |
| SCHEMBL10408801 | 0.93 | CA4 (0.41) | CA4CA1CA2TSHRCYP3A4 | |
| SCHEMBL1331048 | 0.93 | — | — | |
| SCHEMBL607584 | 0.93 | — | — | |
| SCHEMBL6914396 | 0.93 | CA4 (0.41) | CA4CA1CA2TSHRCYP3A4 | |
| SCHEMBL10410226 | 0.93 | — | — | |
| SCHEMBL247609 | 0.93 | — | — | |
| Silver SCHEMBL5915057 | 0.93 | — | — | |
| Lithium Ion SCHEMBL8013047 | 0.93 | — | — | |
| SCHEMBL6908347 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4966982-A | Process for the production of lactide | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1990-10-30 | — | — | US | disclosed |
| EP-0339882-A1 | Process for the production of lactide | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1989-11-02 | — | — | EP | disclosed |
| US-4335109-A | ALUMINUM HALOHYDRATE AND WATER-SOLUBLE METAL SALT; FUNGICIDAL | KOPPERS COMPANY, INC. (US) | 1982-06-15 | — | — | US | disclosed |