Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 4/20 | 0.36 |
| ▸ | MMP13 | P45452 | 4/20 | 0.36 |
| ▸ | MMP1 | P03956 | 3/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
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 SCHEMBL7343372 | 0.94 | CYP1A2 (0.37) | CYP1A2CYP2C9TSHRMAPK1L3MBTL1 | |
| SCHEMBL1643742 | 0.83 | ALDH1A1 (0.36) | CYP1A2TSHRMAPK1L3MBTL1MEN1 | |
| SCHEMBL466237 | 0.82 | ALDH1A1 (0.50) | CYP1A2TSHRMAPK1L3MBTL1MEN1 | |
| SCHEMBL5592415 | 0.82 | ALDH1A1 (0.50) | CYP1A2TSHRMAPK1L3MBTL1MEN1 | |
| SCHEMBL19209644 | 0.82 | LMNA (0.50) | CYP1A2CYP2C9L3MBTL1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL7346253 | 0.81 | ALDH1A1 (0.49) | CYP1A2TSHRMAPK1L3MBTL1MEN1 | |
| SCHEMBL466226 | 0.81 | TSHR (0.47) | CYP1A2CYP2C9TSHRMAPK1L3MBTL1 | |
| SCHEMBL7298836 | 0.81 | ALDH1A1 (0.58) | CYP1A2CYP2C9TSHRMAPK1KMT2A | |
| SCHEMBL6567273 | 0.80 | CYP2C9 (0.50) | CYP1A2CYP2C9TSHRMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7340720 | 0.80 | TSHR (0.46) | CYP1A2CYP2C9TSHRMAPK1L3MBTL1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0446570-B1 | Gabapentin and its derivatives for treating neurodegenerative diseases | WARNER LAMBERT CO (US) | 1995-08-02 | — | — | EP | claimed |
| EP-0458751-A1 | Delivery system for cyclic amino acids with improved taste, texture and compressibility | WARNER-LAMBERT COMPANY (US) | 1991-11-27 | — | — | EP | claimed |
| US-20120178771-A1 | Oral Pharmaceutical Compositions of Buprenorphine and Method of Use | RELMADA THERAPEUTICS, INC. | 2012-07-12 | — | — | US | disclosed |
| EP-2405754-A1 | MODIFIED RELEASE PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE | Theraquest Biosciences, Inc. (US) | 2012-01-18 | — | — | EP | disclosed |
| US-20110097395-A1 | Oral Pharmaceutical Compositions of Buprenorphine and Method of Use | RELMADA THERAPEUTICS, INC. | 2011-04-28 | — | — | US | disclosed |
| EP-2262367-A2 | ORAL PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE AND METHOD OF USE | Theraquest Biosciences, Inc. (US) | 2010-12-22 | — | — | EP | disclosed |
| WO-2010104494-A1 | MODIFIED RELEASE PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE | THERAQUEST BIOSCIENCES, INC. (US) | 2010-09-16 | — | — | WO | disclosed |
| WO-2009114118-A2 | ORAL PHARMACEUTICAL COMPOSITIONS OF BUPRENORPHINE AND METHOD OF USE | THERAQUEST BIOSCIENCES, INC. (US) | 2009-09-17 | — | — | WO | disclosed |
| WO-2007120485-A2 | METHODS OF TREATING PAIN WITH ALKYLXANTHINES AND ANTIEPILEPTICS AND COMPOSITIONS FOR USE THEREFOR | CINERGEN, LLC (US) | 2007-10-25 | — | — | WO | disclosed |
| EP-0458751-A1 | Delivery system for cyclic amino acids with improved taste, texture and compressibility | WARNER-LAMBERT COMPANY (US) | 1991-11-27 | — | — | EP | 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 (2 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-20120178771-A1 | Oral Pharmaceutical Compositions of Buprenorphine and Method of Use | OPRK1, OPRM1, OPRD1 | CYP1A2 16/4885CYP2C9 11/4885TSHR 3222/4885 |
| US-20110097395-A1 | Oral Pharmaceutical Compositions of Buprenorphine and Method of Use | CYP2B6, CYP3A5, OPRM1 | CYP1A2 24/4885CYP2C9 7/4885TSHR 3116/4885 |
“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.