Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.35 |
| ▸ | MTTP | P55157 | 3/20 | 0.32 |
| ▸ | ACLY | P53396 | 1/20 | 0.32 |
| ▸ | HSPH1 | Q92598 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 2/20 | 0.31 |
| ▸ | PPARA | Q07869 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.30 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.30 |
| ▸ | PLK1 | P53350 | 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 | |
|---|---|---|---|---|
| SCHEMBL399590 | 0.95 | NTRK1 (0.35) | NTRK1NTRK2KCNH2PPARGPPARA | |
| SCHEMBL402646 | 0.95 | NTRK1 (0.38) | NTRK1NTRK2MTTPACLYHSPH1 | |
| SCHEMBL401988 | 0.94 | NTRK1 (0.39) | NTRK1NTRK2MTTPHSPH1KCNH2 | |
| Hydrochloric Acid SCHEMBL401987 | 0.93 | NTRK1 (0.39) | NTRK1NTRK2MTTPHSPH1KCNH2 | |
| SCHEMBL403306 | 0.92 | NTRK1 (0.34) | NTRK1NTRK2ACLYHSPH1KCNH2 | |
| SCHEMBL5318139 | 0.89 | NTRK1 (0.40) | NTRK1NTRK2MTTPHSPH1KCNH2 | |
| SCHEMBL403346 | 0.89 | NTRK1 (0.42) | NTRK1NTRK2MTTPHSPH1KCNH2 | |
| SCHEMBL401200 | 0.89 | NTRK1 (0.40) | NTRK1NTRK2MTTPHSPH1KCNH2 | |
| SCHEMBL403292 | 0.88 | NTRK1 (0.39) | NTRK1NTRK2HSPH1KCNH2PPARG | |
| SCHEMBL397835 | 0.88 | NTRK1 (0.39) | NTRK1NTRK2MTTPHSPH1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20060089392-A1 | Ester derivatives and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2006-04-27 | — | — | US | 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 | NTRK1 3420/4885NTRK2 2775/4885MTTP 1/4885 |
“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.