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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 6/20 | 0.35 |
| ▸ | CES2 | O00748 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LSS | P48449 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | DNM1 | Q05193 | 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 | |
|---|---|---|---|---|
| SCHEMBL217738 | 0.96 | TSHR (0.46) | TSHRLMNATHRBCES1CES2 | |
| SCHEMBL1021000 | 0.96 | TSHR (0.46) | TSHRLMNATHRBCES1CES2 | |
| Pentane SCHEMBL28653101 | 0.92 | TSHR (0.54) | TSHRLMNATHRBCES1CES2 | |
| Zinc Ion SCHEMBL11586751 | 0.92 | TSHR (0.43) | TSHRLMNATHRBCES1CES2 | |
| SCHEMBL11590990 | 0.92 | TSHR (0.43) | TSHRLMNATHRBCES1CES2 | |
| SCHEMBL31161204 | 0.92 | TSHR (0.43) | TSHRLMNATHRBCES1CES2 | |
| SCHEMBL6525154 | 0.88 | TSHR (0.46) | TSHRLMNATHRBCES1CES2 | |
| SCHEMBL5993484 | 0.88 | TSHR (0.46) | TSHRLMNATHRBCES1CES2 | |
| SCHEMBL489856 | 0.88 | TSHR (0.46) | TSHRLMNATHRBCES1CES2 | |
| SCHEMBL6561911 | 0.88 | TSHR (0.46) | TSHRLMNATHRBCES1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4122107-A | POLYMERIZATION CATALYSTS | M&T CHEMICALS INC. (US) | 1978-10-24 | — | — | US | disclosed |
| US-4104263-A | ANTIMONY OR ZIRCONIUM CARBOXYLATES, CALCIUM MANGANESE OR ZINC CARBOXYLATES, ANHYDRIDES, ALCOHOLS, OR GLYCOLS | M&T CHEMICALS INC. (US) | 1978-08-01 | — | — | US | disclosed |