Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTTP known ✓ | P55157 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | HSPH1 | Q92598 | 1/20 | 0.31 |
| ▸ | PLK1 | P53350 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL401988 | 0.97 | NTRK1 (0.39) | NTRK1NTRK2KCNH2PPARGPPARA | |
| Hydrochloric Acid SCHEMBL401987 | 0.97 | NTRK1 (0.39) | NTRK1NTRK2KCNH2PPARGPPARA | |
| SCHEMBL399590 | 0.95 | NTRK1 (0.35) | NTRK1NTRK2KCNH2PPARGPPARA | |
| SCHEMBL401482 | 0.95 | NTRK1 (0.35) | NTRK1NTRK2KCNH2PPARGPPARA | |
| SCHEMBL403306 | 0.94 | NTRK1 (0.34) | NTRK1NTRK2KCNH2PPARGPPARA | |
| SCHEMBL403346 | 0.93 | NTRK1 (0.42) | NTRK1NTRK2KCNH2PPARGPPARA | |
| SCHEMBL401200 | 0.93 | NTRK1 (0.40) | NTRK1NTRK2KCNH2PPARGPPARA | |
| SCHEMBL5318139 | 0.92 | NTRK1 (0.40) | NTRK1NTRK2KCNH2PPARGPPARA | |
| SCHEMBL403292 | 0.91 | NTRK1 (0.39) | NTRK1NTRK2KCNH2PPARGPPARA | |
| SCHEMBL397835 | 0.91 | NTRK1 (0.39) | NTRK1NTRK2KCNH2PPARGPPARA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1803452-A1 | ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF | Japan Tobacco, Inc. (JP) | 2007-07-04 | — | — | EP | claimed |
| US-8101774-B2 | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2012-01-24 | — | — | US | disclosed |
| EP-1803452-A1 | ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF | Japan Tobacco, Inc. (JP) | 2007-07-04 | — | — | EP | disclosed |
| US-20060089392-A1 | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2006-04-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060089392-A1 | Ester derivatives and medicinal use thereof | MTTP, CETP, LIPA | MTTP 1/4885NTRK1 3420/4885NTRK2 2775/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.