Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Hexane. 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 | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | KDM5A | P29375 | 3/20 | 0.41 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28564868 | 1.00 | DNM1 (0.50) | DNM1TSHRTHRBCA12CA1 | |
| Bromide SCHEMBL1353881 | 0.96 | DNM1 (0.45) | DNM1TSHRTHRBCA12CA1 | |
| Hexane SCHEMBL28311344 | 0.96 | TSHR (0.50) | DNM1TSHRTHRBCA12CA1 | |
| Bromide SCHEMBL1353883 | 0.96 | DNM1 (0.45) | DNM1TSHRTHRBCA12CA1 | |
| Bromide SCHEMBL466549 | 0.96 | DNM1 (0.45) | DNM1TSHRTHRBCA12CA1 | |
| Hexane SCHEMBL28081484 | 0.96 | TSHR (0.50) | DNM1TSHRTHRBCA12CA1 | |
| Bromide SCHEMBL9877704 | 0.96 | DNM1 (0.45) | DNM1TSHRTHRBCA12CA1 | |
| Bromide SCHEMBL27814599 | 0.94 | DNM1 (0.60) | DNM1TSHRTHRBCA12CA1 | |
| SCHEMBL10619988 | 0.93 | DNM1 (0.53) | DNM1TSHRTHRBCA12CA1 | |
| SCHEMBL28348265 | 0.93 | TSHR (0.57) | DNM1TSHRTHRBKDM5APHF8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112566893-B | Preparation of diesters of (meth) acrylic acid from epoxides | 赢创运营有限公司 | 2024-03-01 | — | — | CN | disclosed |
| CN-112566893-A | Preparation of diesters of (meth) acrylic acid from epoxides | 赢创运营有限公司 | 2021-03-26 | — | — | CN | disclosed |
| CN-104704024-B | Manufacture double (phthalimides) and the method for PEI and double (phthalimides) and the PEI formed by it | 沙特基础全球技术有限公司 | 2017-11-21 | — | — | CN | disclosed |
| CN-104704024-A | Methods of manufacture of bis(phthalimide)s and polyetherimides, and bis(phthalimide)s, and polyetherimides formed therefrom | SABIC INNOVATIVE PLASTICS IP | 2015-06-10 | — | — | CN | disclosed |
| CN-104520351-A | Polyetherimide compositions, methods of manufacture, and articles formed therefrom | SABIC INNOVATIVE PLASTICS IP | 2015-04-15 | — | — | CN | disclosed |