Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | CES2 | O00748 | 1/20 | 0.64 |
| ▸ | CES1 | P23141 | 1/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.62 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.62 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.53 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.53 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2599194 | 1.00 | ALDH1A1 (0.65) | ALDH1A1CES2CES1SLC6A2CHRNB4 | |
| SCHEMBL29408207 | 0.88 | ALDH1A1 (0.67) | ALDH1A1CES2CES1SLC6A2CHRNB4 | |
| SCHEMBL3844160 | 0.88 | ALDH1A1 (0.67) | ALDH1A1CES2CES1SLC6A2CHRNB4 | |
| SCHEMBL27914715 | 0.86 | CES2 (0.68) | ALDH1A1CES2CES1SLC6A2CHRNB4 | |
| SCHEMBL3801805 | 0.85 | ALDH1A1 (0.63) | ALDH1A1CES2CES1SLC6A2CHRNB4 | |
| SCHEMBL9423190 | 0.85 | ALDH1A1 (0.63) | ALDH1A1CES2CES1SLC6A2CHRNB4 | |
| SCHEMBL9044262 | 0.85 | ALDH1A1 (0.63) | ALDH1A1CES2CES1SLC6A2CHRNB4 | |
| SCHEMBL27849998 | 0.83 | TP53 (0.67) | ALDH1A1CES2CES1SLC6A2CHRNB4 | |
| SCHEMBL2559096 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CES2CES1SLC6A2CHRNB4 | |
| SCHEMBL6400030 | 0.83 | TP53 (0.61) | ALDH1A1CES2CES1SLC6A2CHRNB4 |
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 8 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-20140329805-A1 | DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2014-11-06 | — | — | 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 (3 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-20140329805-A1 | DUAL SMALL MOLECULE INHIBITORS OF CANCER AND ANGIOGENESIS | TP53, MAP2, MAP1LC3B | ALDH1A1 2004/4885CES2 4766/4885CES1 4463/4885 |
| US-20130150357-A1 | HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | SLC6A2, SLC6A3, HTR3B | ALDH1A1 350/4885CES2 91/4885CES1 333/4885 |
| US-20150141416-A1 | HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE | SLC6A2, SLC6A3, HTR3B | ALDH1A1 350/4885CES2 91/4885CES1 333/4885 |
“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.