Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 11/20 | 0.94 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18557034 | 1.00 | NOS2 (0.94) | NOS2CES2CES1NOS3NOS1 | |
| SCHEMBL8297591 | 1.00 | NOS2 (0.94) | NOS2CES2CES1NOS3NOS1 | |
| SCHEMBL18557010 | 1.00 | NOS2 (0.94) | NOS2CES2CES1NOS3NOS1 | |
| SCHEMBL8297589 | 1.00 | NOS2 (0.94) | NOS2CES2CES1NOS3NOS1 | |
| SCHEMBL2406463 | 1.00 | NOS2 (0.94) | NOS2CES2CES1NOS3NOS1 | |
| SCHEMBL351674 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL4776722 | 0.97 | NOS2 (0.88) | NOS2CES2CES1NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL4779768 | 0.97 | NOS2 (0.88) | NOS2CES2CES1NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL908978 | 0.97 | NOS2 (0.88) | NOS2CES2CES1NOS3NOS1 | |
| Water SCHEMBL28658762 | 0.97 | NOS2 (0.88) | NOS2CES2CES1NOS3NOS1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9579324-B2 | Therapeutically active compounds and their methods of use | AGIOS PHARMACEUTICALS, INC (US) | 2017-02-28 | — | — | US | disclosed |
| EP-1663994-B1 | TETRAHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMA (US) | 2012-03-07 | — | — | EP | disclosed |
| US-20120040935-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | US | disclosed |
| WO-2009145814-A9 | PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-05-14 | — | — | WO | disclosed |
| WO-2009145814-A2 | PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-12-03 | — | — | 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-20120040935-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS | KCNQ1, KCNN2, KCNH3 | NOS2 4102/4885CES2 1229/4885CES1 3026/4885 |
“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.