Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | USP7 | Q93009 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15158329 | 0.98 | ABCB1 (0.35) | ABCB1PTGS1PTGS2ALDH1A1OPRL1 | |
| SCHEMBL11901515 | 0.92 | ABCB1 (0.34) | ABCB1ALDH1A1OPRL1 | |
| SCHEMBL11901533 | 0.90 | ABCB1 (0.40) | ABCB1ALDH1A1OPRL1 | |
| SCHEMBL31015995 | 0.83 | ABCB1 (0.36) | ABCB1PTGS1PTGS2ALDH1A1HTR1A | |
| SCHEMBL25205946 | 0.83 | ABCB1 (0.36) | ABCB1PTGS1PTGS2ALDH1A1HTR1A | |
| SCHEMBL31518183 | 0.78 | ABCB1 (0.36) | ABCB1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL17512128 | 0.75 | OPRL1 (0.45) | OPRL1 | |
| SCHEMBL5256116 | 0.74 | ABCB1 (0.47) | ABCB1OPRL1HTR1ASLC6A2SLC6A4 | |
| SCHEMBL30490112 | 0.74 | PTGS1 (0.31) | PTGS1PTGS2 | |
| SCHEMBL18840670 | 0.74 | PTGER4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9382226-B2 | Aldosterone synthase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| CN-103476767-B | Heterocyclic compounds as PI3 kinase inhibitors | HOFFMANN LA ROCHE | 2015-06-10 | — | — | CN | disclosed |
| US-8653089-B2 | Heterocyclic compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-18 | — | — | US | disclosed |
| CN-103476767-A | Heterocyclic compounds as PI3 kinase inhibitors | HOFFMANN LA ROCHE | 2013-12-25 | — | — | CN | disclosed |
| EP-2673269-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| US-20130317057-A1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME LLC | 2013-11-28 | — | — | US | disclosed |
| EP-2595482-A1 | ALDOSTERONE SYNTHASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | US | disclosed |
| WO-2012012478-A1 | ALDOSTERONE SYNTHASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | 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-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | PIK3CA, PIK3CD, AKT3 | ABCB1 993/4885PTGS1 100/4885PTGS2 187/4885 |
| US-20130317057-A1 | ALDOSTERONE SYNTHASE INHIBITORS | HSD11B1, CYP11B2, HSD11B2 | ABCB1 193/4885PTGS1 107/4885PTGS2 124/4885 |
“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.