Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL11290860 | 0.82 | CA2 (0.80) | CA2 | |
| SCHEMBL46640 | 0.81 | CA2 (0.56) | CA2SLC6A4 | |
| SCHEMBL2398565 | 0.81 | POLB (0.48) | SLC6A4MAOASLC6A2SLC6A3 | |
| SCHEMBL5677026 | 0.80 | ALDH1A1 (0.49) | CA2SLC6A4MAOASLC6A2SLC6A3 | |
| SCHEMBL5350614 | 0.80 | CA2 (0.53) | CA2SLC6A4MAOA | |
| SCHEMBL2407621 | 0.79 | SMN1; SMN2 (0.46) | SLC6A4MAOASLC6A2SLC6A3 | |
| SCHEMBL16582911 | 0.79 | AOC2 (0.54) | SLC6A4 | |
| SCHEMBL658518 | 0.78 | CA2 (0.67) | CA2 | |
| SCHEMBL4869495 | 0.78 | HAO1 (0.53) | SLC6A4 | |
| SCHEMBL6167644 | 0.78 | SLC6A4 (0.46) | SLC6A4MAOASLC6A2SLC6A3 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104788362-A | Preparation method of etoricoxib or pharmaceutically acceptable salts thereof | JINAN SANYUAN CHEMICAL CO LTD | 2015-07-22 | — | — | CN | disclosed |
| CN-104761489-A | Method for preparing etoricoxib and pharmaceutically acceptable salt thereof | JINAN SANYUAN CHEMICAL CO LTD | 2015-07-08 | — | — | CN | disclosed |
| EP-2888242-A1 | SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | Boehringer Ingelheim International GmbH (DE) | 2015-07-01 | — | — | EP | disclosed |
| WO-2014029830-A1 | SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-27 | — | — | WO | disclosed |
| US-20100048590-A1 | N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS | GAILUNAS ANDREA | 2010-02-25 | — | — | US | disclosed |
| US-7589094-B2 | N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds | ELAN PHARMACEUTICALS, INC. (US) | 2009-09-15 | — | — | US | disclosed |
| US-20070232686-A1 | Cyanoamidine P2X7 Antagonists for the Treatment of Pain | CARROLL WILLIAM A | 2007-10-04 | — | — | US | disclosed |
| US-7241776-B2 | Cyanoamidine P2X7 antagonists for the treatment of pain | ABBOTT LABORATORIES (US) | 2007-07-10 | — | — | US | disclosed |
| US-20060194817-A1 | N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds | ELAN PHARMACEUTICALS, INC. | 2006-08-31 | — | — | US | disclosed |
| US-20060025614-A1 | Cyanoamidine P2X7 antagonists for the treatment of pain | ABBVIE INC. | 2006-02-02 | — | — | US | disclosed |
| US-20050171195-A1 | P2X7 antagonists for treating neuropathic pain | ABBOTT LABORATORIES | 2005-08-04 | — | — | 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 (5 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-20050171195-A1 | P2X7 antagonists for treating neuropathic pain | P2RX3, P2RX7, P2RX1 | CA2 852/4885SLC6A4 543/4885MAOA 2516/4885 |
| US-20060194817-A1 | N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds | BACE1, APP, BACE2 | CA2 2352/4885SLC6A4 3661/4885MAOA 277/4885 |
| US-20100048590-A1 | N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS | BACE1, APP, BACE2 | CA2 2352/4885SLC6A4 3661/4885MAOA 277/4885 |
| US-20060025614-A1 | Cyanoamidine P2X7 antagonists for the treatment of pain | P2RX2, P2RX1, P2RX7 | CA2 1043/4885SLC6A4 743/4885MAOA 3499/4885 |
| US-20070232686-A1 | Cyanoamidine P2X7 Antagonists for the Treatment of Pain | P2RX2, P2RX1, P2RX7 | CA2 1043/4885SLC6A4 743/4885MAOA 3499/4885 |
“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.