Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 5/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1027979 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C19CA1CA2 | |
| SCHEMBL1027980 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C19CA1CA2 | |
| SCHEMBL13716891 | 0.89 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C19CYP3A4MAOB | |
| SCHEMBL4213720 | 0.89 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C19CYP3A4MAOB | |
| SCHEMBL3571937 | 0.89 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C19CA1CA2 | |
| SCHEMBL4213724 | 0.89 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C19CYP3A4MAOB | |
| SCHEMBL3571940 | 0.89 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP2C19CA1CA2 | |
| SCHEMBL3967838 | 0.88 | PPARG (0.41) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL3967834 | 0.88 | PPARG (0.41) | ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL3972966 | 0.88 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP2C19CYP3A4MAOB |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9868707-B2 | Small molecule agonists of neurotensin receptor 1 | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2018-01-16 | — | — | US | disclosed |
| US-9868707-B2 | Small molecule agonists of neurotensin receptor 1 | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2018-01-16 | — | — | US | disclosed |
| US-20150329497-A1 | SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 | DUKE UNIVERSITY (US) | 2015-11-19 | — | — | US | disclosed |
| US-20150329497-A1 | SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 | DUKE UNIVERSITY (US) | 2015-11-19 | — | — | US | disclosed |
| US-8933096-B2 | Antimicrobial agents | Rugers, The State University of New Jersey (US) | 2015-01-13 | — | — | US | disclosed |
| WO-2014100501-A1 | SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2014-06-26 | — | — | WO | disclosed |
| US-20130116278-A1 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2013-05-09 | — | — | US | disclosed |
| WO-2011159926-A1 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2011-12-22 | — | — | WO | disclosed |
| WO-2011156626-A1 | ANTIMICROBIAL AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2011-12-15 | — | — | WO | disclosed |
| US-7572809-B2 | Isoquinoline aminopyrazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-08-11 | — | — | US | disclosed |
| US-7572809-B2 | Isoquinoline aminopyrazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-08-11 | — | — | US | disclosed |
| US-7572809-B2 | Isoquinoline aminopyrazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-08-11 | — | — | US | disclosed |
| EP-1966190-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2008-09-10 | — | — | EP | disclosed |
| US-20070179151-A1 | Isoquinoline aminopyrazole derivatives | F. HOFMANN-LA ROCHE AG (CH) | 2007-08-02 | — | — | US | disclosed |
| US-20070179151-A1 | Isoquinoline aminopyrazole derivatives | F. HOFMANN-LA ROCHE AG (CH) | 2007-08-02 | — | — | US | disclosed |
| US-20070179151-A1 | Isoquinoline aminopyrazole derivatives | F. HOFMANN-LA ROCHE AG (CH) | 2007-08-02 | — | — | US | disclosed |
| WO-2007071348-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-28 | — | — | WO | disclosed |
| WO-2007071348-A1 | ISOQUINOLINE AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-28 | — | — | WO | disclosed |
| US-4273773-A | IN COMBINATION WITH A DIURETIC | AMERICAN HOME PRODUCTS CORPORATION (US) | 1981-06-16 | — | — | 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 (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-20130116278-A1 | ANTIMICROBIAL AGENTS | MRPL21, ARG1, RPP30 | ALDH1A1 3341/4885CYP1A2 2201/4885CYP2C19 1210/4885 |
| US-20070179151-A1 | Isoquinoline aminopyrazole derivatives | CYP3A5, CYP3A43, CYP3A4 | ALDH1A1 198/4885CYP1A2 9/4885CYP2C19 17/4885 |
| US-20150329497-A1 | SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 | NTSR1, NTSR2, VIPR1 | ALDH1A1 3294/4885CYP1A2 4599/4885CYP2C19 4644/4885 |
“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.