Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 9/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 9/20 | 0.51 |
| ▸ | NOS3 | P29474 | 4/20 | 0.48 |
| ▸ | NOS1 | P29475 | 4/20 | 0.48 |
| ▸ | NOS2 | P35228 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | NPR3 | P17342 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13071694 | 1.00 | TAS1R3 (0.51) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| SCHEMBL12666830 | 1.00 | TAS1R3 (0.51) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| SCHEMBL10421717 | 0.82 | TAS1R3 (0.50) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| SCHEMBL1666836 | 0.82 | TAS1R3 (0.37) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| SCHEMBL8294718 | 0.81 | TAS1R3 (0.36) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| SCHEMBL10210577 | 0.80 | NPSR1 (0.50) | CYP2C9NPR3CYP2C19POLB | |
| SCHEMBL1992438 | 0.80 | TAS1R3 (0.36) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| SCHEMBL12627973 | 0.80 | NPSR1 (0.50) | CYP2C9NPR3CYP2C19POLB | |
| SCHEMBL14609391 | 0.80 | TAS1R3 (0.49) | TAS1R3TAS1R1NOS3NOS1NOS2 | |
| SCHEMBL8297645 | 0.80 | TAS1R3 (0.49) | TAS1R3TAS1R1NOS3NOS1NOS2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170283377-A1 | ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-10-05 | — | — | US | disclosed |
| US-20170158734-A1 | EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION | CENTRAX INTERNATIONAL, INC. (US) | 2017-06-08 | — | — | US | disclosed |
| WO-2016011088-A2 | EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION | CENTRAX INTERNATIONAL, INC. (US) | 2016-01-21 | — | — | WO | disclosed |
| EP-1427418-B1 | PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS | UNIV YALE (US) | 2009-11-11 | — | — | EP | disclosed |
| EP-2014291-A2 | Piperazinone compounds as anti-tumor and anti-cancer agents and methods of treatment | YALE UNIVERSITY (US) | 2009-01-14 | — | — | EP | disclosed |
| WO-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | 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-20170283377-A1 | ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE | AR, UTS2R, MC2R | TAS1R3 646/4885TAS1R1 917/4885NOS3 4636/4885 |
| US-20170158734-A1 | EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION | PSMD10, PSMC1, PSMB10 | TAS1R3 4826/4885TAS1R1 4810/4885NOS3 3196/4885 |
“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.