Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Squalene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | SQLE | Q14534 | 8/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.59 |
| ▸ | FNTA | P49354 | 1/20 | 0.49 |
| ▸ | FNTB | P49356 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ICMT | O60725 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Squalene SCHEMBL27776166 | 0.96 | KMT2A (0.71) | KMT2ASQLEMAPTMEN1CYP3A4 | |
| Squalene SCHEMBL4109521 | 0.88 | KMT2A (0.85) | KMT2ASQLEMAPTMEN1CYP3A4 | |
| Squalene SCHEMBL4109524 | 0.88 | KMT2A (0.85) | KMT2ASQLEMAPTMEN1CYP3A4 | |
| SCHEMBL28439863 | 0.87 | KMT2A (0.63) | KMT2ASQLEMAPTMEN1CYP3A4 | |
| Glycerin SCHEMBL28909257 | 0.84 | FNTA (0.58) | KMT2ASQLEMAPTMEN1CYP3A4 | |
| Alcohol SCHEMBL9185959 | 0.82 | SQLE (0.91) | KMT2ASQLEMAPTMEN1CYP3A4 | |
| SCHEMBL23802597 | 0.81 | KMT2A (1.00) | KMT2ASQLEMAPTMEN1CYP3A4 | |
| SCHEMBL8013144 | 0.81 | KMT2A (1.00) | KMT2ASQLEMAPTMEN1CYP3A4 | |
| Squalene SCHEMBL8819997 | 0.81 | KMT2A (1.00) | KMT2ASQLEMAPTMEN1CYP3A4 | |
| Squalene SCHEMBL890053 | 0.81 | KMT2A (1.00) | KMT2ASQLEMAPTMEN1CYP3A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105561381-B | A kind of preparation method of marine organisms nano-antibacterial gelation liquid adhesive bandage | 青岛大学 | 2018-09-07 | — | — | CN | claimed |
| CN-105497976-B | A kind of trauma wound is applied with the preparation method with functional ointment | 青岛大学 | 2018-07-10 | — | — | CN | claimed |
| CN-105561381-A | Preparation method of marine organism nano antibacterial gel-liquid adhesive bandage | UNIV QINGDAO | 2016-05-11 | — | — | CN | claimed |
| CN-105497976-A | Preparation method of externally applied functional ointment for traumatic wounds | UNIV QINGDAO | 2016-04-20 | — | — | CN | claimed |
| CN-105561381-B | A kind of preparation method of marine organisms nano-antibacterial gelation liquid adhesive bandage | 青岛大学 | 2018-09-07 | — | — | CN | disclosed |
| CN-105497976-B | A kind of trauma wound is applied with the preparation method with functional ointment | 青岛大学 | 2018-07-10 | — | — | CN | disclosed |
| CN-105561381-A | Preparation method of marine organism nano antibacterial gel-liquid adhesive bandage | UNIV QINGDAO | 2016-05-11 | — | — | CN | disclosed |
| CN-105497976-A | Preparation method of externally applied functional ointment for traumatic wounds | UNIV QINGDAO | 2016-04-20 | — | — | CN | disclosed |