Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 6/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | PRKDC | P78527 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ERN1 | O75460 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6777355 | 0.88 | CYP1A1 (0.43) | CYP1A1CYP1A2CYP1B1ALDH1A1PRKDC | |
| SCHEMBL14473833 | 0.80 | ERN1 (0.59) | ALDH1A1PRKDCKDM4ETSHRTDP1 | |
| SCHEMBL2423284 | 0.78 | ERN1 (0.57) | ALDH1A1PRKDCKDM4ETSHRTDP1 | |
| SCHEMBL5107347 | 0.75 | ALDH1A1 (0.59) | CYP1A1CYP1A2CYP1B1ALDH1A1PRKDC | |
| SCHEMBL7089541 | 0.75 | ALDH1A1 (0.52) | CYP1A1CYP1A2CYP1B1ALDH1A1PRKDC | |
| SCHEMBL30865006 | 0.75 | ALDH1A1 (0.62) | ALDH1A1PRKDCKDM4ETSHRTDP1 | |
| SCHEMBL6745435 | 0.74 | ERN1 (0.60) | ALDH1A1PRKDCKDM4ETSHRTDP1 | |
| SCHEMBL8054681 | 0.73 | PTGS1 (0.45) | CYP1A2ALDH1A1KDM4ETDP1ERN1 | |
| SCHEMBL5723333 | 0.73 | LMNA (0.45) | ALDH1A1KDM4ETSHRTDP1ERN1 | |
| SCHEMBL6404699 | 0.72 | ERN1 (0.59) | CYP1A1CYP1A2CYP1B1ALDH1A1PRKDC |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1406609-B1 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2006-09-06 | — | — | EP | disclosed |
| US-20050059665-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2005-03-17 | — | — | US | disclosed |
| US-6825185-B2 | IMPROVING THE CARDIOVASCULAR PROFILE OF A COX-2 SELECTIVE INHIBITOR BY ADMINISTERING WITH 3-HYDROXY-3- METHYLGLUTARYL COENZYME A, AN ANTIPLATELET AGENT, A THROMBIN INHIBITOR OR A THROMBOXANE INHIBITOR | NITROMED, INC. | 2004-11-30 | — | — | US | disclosed |
| US-20040116431-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2004-06-17 | — | — | US | disclosed |
| EP-1406609-A4 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2004-04-14 | — | — | EP | disclosed |
| EP-1406609-A2 | SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2004-04-14 | — | — | EP | disclosed |
| US-6706724-B2 | ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT | NITROMED, INC. | 2004-03-16 | — | — | US | disclosed |
| US-20020119977-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications | NICOX S.A. (FR) | 2002-08-29 | — | — | US | disclosed |
| WO-2002060378-A2 | SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2002-08-08 | — | — | 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-20050059665-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use | PTGES, PTGER4, PTGS1 | CYP1A1 70/4885CYP1A2 35/4885CYP1B1 74/4885 |
| US-20020119977-A1 | Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications | PTGS2, PTGES2, PTGES | CYP1A1 92/4885CYP1A2 43/4885CYP1B1 81/4885 |
“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.