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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 SCHEMBL28257629 | 1.00 | SMN1; SMN2 (0.53) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL1165348 | 1.00 | SMN1; SMN2 (0.53) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL8497583 | 0.97 | SMN1; SMN2 (0.50) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Heptane SCHEMBL4028291 | 0.97 | LMNA (0.56) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Pentane SCHEMBL8316107 | 0.93 | TSHR (0.50) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL23068705 | 0.93 | TSHR (0.54) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL9301737 | 0.93 | TSHR (0.54) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL9260176 | 0.93 | TSHR (0.54) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL2466815 | 0.93 | TSHR (0.54) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL42593 | 0.93 | TSHR (0.54) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12016977-B2 | Method of making an osteoconductive fibrous article and a medical implant comprising such osteoconductive fibrous article | DSM IP ASSETS B.V. (NL) | 2024-06-25 | — | — | US | disclosed |
| US-20230270920-A1 | METHOD OF MAKING AN OSTEOCONDUCTIVE FIBROUS ARTICLE AND A MEDICAL IMPLANT COMPRISING SUCH OSTEOCONDUCTIVE FIBROUS ARTICLE | DSM IP ASSETS B.V. (NL) | 2023-08-31 | — | — | US | disclosed |
| US-11400184-B2 | Method of making an osteoconductive polymer article and an osteoconductive polymer article thus made | DSM IP ASSETS B.V. (NL) | 2022-08-02 | — | — | US | disclosed |
| CN-111386133-B | Method for producing an osteoconductive fiber product and medical implant comprising such an osteoconductive fiber product | 帝斯曼知识产权资产管理有限公司 | 2022-07-15 | — | — | CN | disclosed |
| CN-111526896-B | Method of making an osteoconductive polymer article and osteoconductive polymer article made thereby | 帝斯曼知识产权资产管理有限公司 | 2022-05-10 | — | — | CN | disclosed |
| EP-3922281-A1 | METHOD OF MAKING AN OSTEOCONDUCTIVE FIBROUS ARTICLE AND A MEDICAL IMPLANT COMPRISING SUCH OSTEOCONDUCTIVE FIBROUS ARTICLE | DSM IP Assets B.V. (NL) | 2021-12-15 | — | — | EP | disclosed |
| EP-3691701-B1 | METHOD OF MAKING AN OSTEOCONDUCTIVE POLYMER ARTICLE AND AN OSTEOCONDUCTIVE POLYMER ARTICLE THUS MADE | DSM IP ASSETS BV (NL) | 2021-11-17 | — | — | EP | disclosed |
| EP-3691700-B1 | METHOD OF MAKING AN OSTEOCONDUCTIVE FIBROUS ARTICLE AND A MEDICAL IMPLANT COMPRISING SUCH OSTEOCONDUCTIVE FIBROUS ARTICLE | DSM IP ASSETS BV (NL) | 2021-08-11 | — | — | EP | disclosed |
| US-20200360573-A1 | METHOD OF MAKING AN OSTEOCONDUCTIVE FIBROUS ARTICLE AND A MEDICAL IMPLANT COMPRISING SUCH OSTEOCONDUCTIVE FIBROUS ARTICLE | DSM IP ASSETS B.V. (NL) | 2020-11-19 | — | — | US | disclosed |
| US-20200316259-A1 | Method of making an osteoconductive polymer article and an osteoconductive polymer article thus made | DSM IP ASSETS B.V. (NL) | 2020-10-08 | — | — | US | disclosed |
| EP-3691700-A1 | METHOD OF MAKING AN OSTEOCONDUCTIVE FIBROUS ARTICLE AND A MEDICAL IMPLANT COMPRISING SUCH OSTEOCONDUCTIVE FIBROUS ARTICLE | DSM IP Assets B.V. (NL) | 2020-08-12 | — | — | EP | disclosed |
| EP-3691701-A1 | METHOD OF MAKING AN OSTEOCONDUCTIVE POLYMER ARTICLE AND AN OSTEOCONDUCTIVE POLYMER ARTICLE THUS MADE | DSM IP Assets B.V. (NL) | 2020-08-12 | — | — | EP | disclosed |
| CN-111526896-A | Method of making an osteoconductive polymer article and osteoconductive polymer article made thereby | 帝斯曼知识产权资产管理有限公司 | 2020-08-11 | — | — | CN | disclosed |
| CN-111386133-A | Method for producing an osteoconductive fiber product and medical implant comprising such an osteoconductive fiber product | 帝斯曼知识产权资产管理有限公司 | 2020-07-07 | — | — | CN | disclosed |
| WO-2019068903-A1 | METHOD OF MAKING AN OSTEOCONDUCTIVE POLYMER ARTICLE AND AN OSTEOCONDUCTIVE POLYMER ARTICLE THUS MADE | DSM INTELLECTUAL PROPERTY (NL) | 2019-04-11 | — | — | WO | disclosed |
| WO-2019068906-A1 | METHOD OF MAKING AN OSTEOCONDUCTIVE FIBROUS ARTICLE AND A MEDICAL IMPLANT COMPRISING SUCH OSTEOCONDUCTIVE FIBROUS ARTICLE | DSM IP ASSETS B.V. (NL) | 2019-04-11 | — | — | WO | disclosed |