Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 9/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | UBE2N | P61088 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12877356 | 0.83 | GAA (0.70) | GAACYP3A4CYP2C19CYP1A2HTT | |
| SCHEMBL8291488 | 0.81 | GAA (0.67) | GAACYP3A4CYP2C19CYP1A2MAPT | |
| SCHEMBL110364 | 0.79 | GAA (1.00) | GAACYP3A4CYP2C19CYP1A2HTT | |
| SCHEMBL3285739 | 0.77 | CYP1A2 (0.58) | GAACYP3A4CYP2C19CYP1A2HTT | |
| SCHEMBL13898831 | 0.75 | GAA (0.74) | GAACYP3A4CYP2C19CYP1A2MAPT | |
| SCHEMBL10785110 | 0.74 | GAA (0.58) | GAACYP3A4CYP2C19CYP1A2MAPT | |
| SCHEMBL13813275 | 0.74 | GAA (0.58) | GAACYP3A4CYP2C19CYP1A2MAPT | |
| SCHEMBL9638165 | 0.74 | GAA (0.70) | GAACYP3A4CYP2C19CYP1A2HTT | |
| SCHEMBL13898768 | 0.73 | GAA (0.67) | GAACYP3A4CYP2C19CYP1A2MAPT | |
| SCHEMBL8291275 | 0.73 | GAA (1.00) | GAACYP3A4CYP2C19CYP1A2MAPT |
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-9028684-B2 | Separating agent for optical isomer | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2015-05-12 | — | — | US | disclosed |
| US-8501786-B2 | Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-08-06 | — | — | US | disclosed |
| EP-2426492-A1 | AGENT FOR RESOLUTION OF OPTICAL ISOMER | Daicel Chemical Industries, Ltd. (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20120007011-A1 | Separating agent for optical isomer | NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) | 2012-01-12 | — | — | US | disclosed |
| US-20110028461-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2011-02-03 | — | — | US | disclosed |
| WO-2009033183-A2 | COMPOUNDS AND METHODS FOR TREATMENT OF HCV AND CONDITIONS ASSOCIATED WITH CD81 BINDING | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) | 2009-03-12 | — | — | WO | disclosed |
| WO-2009033183-A2 | COMPOUNDS AND METHODS FOR TREATMENT OF HCV AND CONDITIONS ASSOCIATED WITH CD81 BINDING | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) | 2009-03-12 | — | — | 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 (1 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-20110028461-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | GAA 3210/4885CYP3A4 387/4885CYP2C19 467/4885 |
“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.