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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.95 |
| ▸ | CAPN1 | P07384 | 14/20 | 0.40 |
| ▸ | CTSB | P07858 | 3/20 | 0.40 |
| ▸ | CAPN9 | O14815 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CTSG | P08311 | 1/20 | 0.39 |
| ▸ | CTSH | P09668 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2078877 | 1.00 | CTSK (0.95) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| Lithium Ion SCHEMBL913545 | 0.97 | CTSK (0.95) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL913738 | 0.97 | CTSK (1.00) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| Potassium Ion SCHEMBL913496 | 0.97 | CTSK (0.95) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL7206790 | 0.86 | CTSK (0.76) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL6735420 | 0.86 | CTSK (0.76) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL913603 | 0.86 | CTSK (0.76) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL2730672 | 0.85 | CTSK (0.74) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL913547 | 0.85 | CTSK (0.74) | CTSKCAPN1CTSBCAPN9MAPK1 | |
| SCHEMBL14345721 | 0.82 | CTSK (0.69) | CTSKCAPN1CTSBCAPN9MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163942-B2 | Salt of (2S, 3S)-3-[[(1S)-1-isobutoxymethyl-3-methylbutyl]carbamoyl]oxirane-2-carboxylic acid | VELCURA THERAPEUTICS, INC. (US) | 2012-04-24 | — | — | US | claimed |