Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Verbenone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | BUB1 | O43683 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Verbenone SCHEMBL17204632 | 1.00 | TSHR (0.35) | TSHRMAPK1BUB1 | |
| Verbenone SCHEMBL10615025 | 0.91 | TSHR (0.41) | TSHRMAPK1BUB1 | |
| Verbenone SCHEMBL118161 | 0.91 | TSHR (0.41) | TSHRMAPK1BUB1 | |
| Verbenone SCHEMBL3506768 | 0.91 | TSHR (0.41) | TSHRMAPK1BUB1 | |
| Verbenone SCHEMBL6562635 | 0.91 | TSHR (0.41) | TSHRMAPK1BUB1 | |
| Verbenone SCHEMBL12914978 | 0.91 | TSHR (0.41) | TSHRMAPK1BUB1 | |
| Verbenone SCHEMBL11546159 | 0.79 | TSHR (0.31) | TSHRMAPK1 | |
| SCHEMBL18944189 | 0.76 | BUB1 (0.33) | BUB1 | |
| Eucalyptol SCHEMBL647135 | 0.72 | TSHR (0.50) | TSHRMAPK1 | |
| SCHEMBL1496204 | 0.67 | TSHR (0.41) | TSHRMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3134381-A1 | TERPENE AND TERPENOID DERIVATIVES CONTAINING VINYL GROUPS FOR THE PREPARATION OF POLYMERS | The University of Nottingham (GB) | 2017-03-01 | — | — | EP | disclosed |
| WO-2015162419-A1 | TERPENE AND TERPENOID DERIVATIVES CONTAINING VINYL GROUPS FOR THE PREPARATION OF POLYMERS | THE UNIVERSITY OF NOTTINGHAM (GB) | 2015-10-29 | — | — | WO | disclosed |