Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 8/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.44 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.44 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Butylamine SCHEMBL6159373 | 0.97 | DNM1 (0.59) | DNM1ALDH1A1TSHRMEN1KMT2A | |
| Butylamine SCHEMBL187742 | 0.97 | — | — | |
| Butylamine SCHEMBL8633752 | 0.93 | — | — | |
| Alcohol SCHEMBL6523360 | 0.93 | DNM1 (0.75) | DNM1ALDH1A1TSHRMEN1KMT2A | |
| Alcohol SCHEMBL6457039 | 0.93 | — | — | |
| Alcohol SCHEMBL28160593 | 0.93 | DNM1 (0.75) | DNM1ALDH1A1TSHRMEN1KMT2A | |
| Hexadecylamine SCHEMBL3962485 | 0.90 | DNM1 (0.81) | DNM1ALDH1A1TSHRMEN1KMT2A | |
| Pentadecylamine SCHEMBL11453009 | 0.90 | DNM1 (0.81) | DNM1ALDH1A1TSHRMEN1KMT2A | |
| Alcohol SCHEMBL474302 | 0.90 | DNM1 (0.81) | DNM1ALDH1A1TSHRMEN1KMT2A | |
| Octadecylamine SCHEMBL9460974 | 0.90 | DNM1 (0.81) | DNM1ALDH1A1TSHRMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110563607-B | Refining method of MK-2866 | 许昌远志生物科技有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-113125586-B | Detection method of 1- [2- (2, 4-dimethyl-thiophenyl) -phenyl ] piperazine and isomer thereof | 成都百裕制药股份有限公司 | 2022-05-24 | — | — | CN | disclosed |
| CN-113125586-A | Detection method of 1- [2- (2, 4-dimethyl-thiophenyl) -phenyl ] piperazine and isomer thereof | 成都百裕制药股份有限公司 | 2021-07-16 | — | — | CN | disclosed |
| CN-110563607-A | refining method of MK-2866 | 许昌远志生物科技有限公司 | 2019-12-13 | — | — | CN | disclosed |