Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2599448 | 1.00 | PTGS1 (0.40) | PTGS1PTGS2CES2CES1PARP1 | |
| SCHEMBL15007498 | 0.83 | PARP1 (0.39) | PARP1CYP2C19HDAC6MEN1KMT2A | |
| SCHEMBL15007497 | 0.83 | PARP1 (0.39) | PARP1CYP2C19HDAC6MEN1KMT2A | |
| SCHEMBL15007508 | 0.82 | C1S (0.41) | PARP1NPC1RAB9AHTTMEN1 | |
| SCHEMBL1683164 | 0.82 | SLC6A2 (0.38) | PARP1HTTCYP2C19ALDH1A1KDM4E | |
| SCHEMBL15007507 | 0.82 | C1S (0.41) | PARP1NPC1RAB9AHTTMEN1 | |
| SCHEMBL1683161 | 0.82 | SLC6A2 (0.38) | PARP1HTTCYP2C19ALDH1A1KDM4E | |
| SCHEMBL2599129 | 0.81 | PRSS1 (0.47) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL2599124 | 0.81 | PRSS1 (0.47) | CES2CES1PARP1NPC1RAB9A | |
| SCHEMBL15007496 | 0.80 | ALDH1A1 (0.34) | CES1ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9527823-B2 | Hydroxybupropion analogues for treating drug dependence | RESEARCH TRIANGLE INSTITUTE (US) | 2016-12-27 | — | — | US | disclosed |
| EP-2571859-B1 | 1-PHENYLMORPHOLINE DERIVATIVES AS HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | RES TRIANGLE INST (US) | 2015-07-22 | — | — | EP | disclosed |
| US-20150141416-A1 | HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | RESEARCH TRIANGLE INSTITUTE | 2015-05-21 | — | — | US | disclosed |
| US-8906908-B2 | Hydroxybupropion analogues for treating drug dependence | RESEARCH TRIANGLE INSTITUTE (US) | 2014-12-09 | — | — | US | disclosed |
| US-20130150357-A1 | HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | RESEARCH TRIANGLE INSTITUTE (US) | 2013-06-13 | — | — | US | disclosed |
| EP-2571859-A2 | HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | Research Triangle Institute (US) | 2013-03-27 | — | — | EP | disclosed |
| WO-2011146821-A2 | 1 - PHENYLMORPHOLINE DERIVATIVES AS HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | RESEARCH TRIANGLE INSTITUTE (US) | 2011-11-24 | — | — | WO | 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-20130150357-A1 | HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | SLC6A2, SLC6A3, HTR3B | PTGS1 2839/4885PTGS2 3658/4885CES2 91/4885 |
| US-20150141416-A1 | HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | SLC6A2, SLC6A3, HTR3B | PTGS1 2839/4885PTGS2 3658/4885CES2 91/4885 |
“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.