Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.76 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | BACH1 | O14867 | 1/20 | 0.30 |
| ▸ | MAFK | O60675 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6620444 | 0.98 | CYP1A2 (0.73) | CYP1A2CYP2D6DNM1ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL5575886 | 0.91 | CYP1A2 (0.70) | CYP1A2CYP2D6DNM1ALDH1A1TSHR | |
| SCHEMBL722942 | 0.91 | CYP1A2 (0.76) | CYP1A2CYP2D6DNM1ALDH1A1TSHR | |
| SCHEMBL3830223 | 0.91 | CYP1A2 (0.82) | CYP1A2CYP2D6DNM1ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL30859417 | 0.90 | CYP1A2 (0.68) | CYP1A2CYP2D6DNM1ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL27564144 | 0.90 | CYP1A2 (0.68) | CYP1A2CYP2D6DNM1ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL6977316 | 0.89 | CYP1A2 (0.73) | CYP1A2CYP2D6DNM1ALDH1A1TSHR | |
| Pentane SCHEMBL28226865 | 0.88 | CYP1A2 (0.85) | CYP1A2CYP2D6DNM1ALDH1A1TSHR | |
| SCHEMBL1372 | 0.86 | CYP1A2 (1.00) | CYP1A2CYP2D6DNM1ALDH1A1TSHR | |
| SCHEMBL4798477 | 0.86 | CYP1A2 (1.00) | CYP1A2CYP2D6DNM1ALDH1A1TSHR |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4087283-A | CARBODIIMIDE AND N-HYDROXY CYCLIC AMINE | GAF CORPORATION (US) | 1978-05-02 | — | — | US | claimed |
| US-8865130-B2 | Methods and compositions for diagnostic and therapeutic targeting of COX-2 | VANDERBILT UNIVERSITY (US) | 2014-10-21 | — | — | US | disclosed |
| US-20130052138-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | VANDERBILT UNIVERSITY (US) | 2013-02-28 | — | — | US | disclosed |
| US-8143302-B2 | Methods and compositions for diagnostic and therapeutic targeting of COX-2 | VANDERBILT UNIVERSITY (US) | 2012-03-27 | — | — | US | disclosed |
| US-20100254910-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | VANDERBILT UNIVERSITY (US) | 2010-10-07 | — | — | US | disclosed |
| US-7736624-B2 | derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy | UNIV VANDERBILT (US) | 2010-06-15 | — | — | US | disclosed |
| US-20090252678-A1 | COX-2-TARGETED IMAGING AGENTS | VANDERBILT UNIVERSITY (US) | 2009-10-08 | — | — | US | disclosed |
| EP-2040699-A2 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | Vanderbilt University Medical Center (US) | 2009-04-01 | — | — | EP | disclosed |
| WO-2007149456-A2 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | VANDERBILT UNIVERSITY (US) | 2007-12-27 | — | — | WO | disclosed |
| US-20070292352-A1 | derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy | VANDERBILT UNIVERSITY (US) | 2007-12-20 | — | — | US | disclosed |
| EP-1638612-A2 | COX-2-TARGETED IMAGING AGENTS | Vanderbilt University (US) | 2006-03-29 | — | — | EP | disclosed |
| US-20050002859-A1 | COX-2-targeted imaging agents | VANDERBILT UNIVERSITY (US) | 2005-01-06 | — | — | US | disclosed |
| WO-2005002293-A2 | COX-2-TARGETED IMAGING AGENTS | VANDERBILT UNIVERSITY (US) | 2005-01-06 | — | — | WO | disclosed |
| US-4087283-A | CARBODIIMIDE AND N-HYDROXY CYCLIC AMINE | GAF CORPORATION (US) | 1978-05-02 | — | — | US | disclosed |
| US-4082747-A | CHEMICAL PROCESS | MALLINCKRODT, INC. (US) | 1978-04-04 | — | — | 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-20050002859-A1 | COX-2-targeted imaging agents | PTGS2, PTGES2, PTGER2 | CYP1A2 386/4885CYP2D6 779/4885DNM1 4700/4885 |
| US-20100254910-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | PTGS2, PTGES2, PTGER2 | CYP1A2 2212/4885CYP2D6 3121/4885DNM1 3562/4885 |
| US-20070292352-A1 | derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy | PTGES2, PTGS2, PTGER2 | CYP1A2 789/4885CYP2D6 1020/4885DNM1 4211/4885 |
| US-20090252678-A1 | COX-2-TARGETED IMAGING AGENTS | PTGS2, PTGES2, PTGER2 | CYP1A2 386/4885CYP2D6 779/4885DNM1 4700/4885 |
| US-20130052138-A1 | METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 | PTGS2, PTGES2, PTGER2 | CYP1A2 2212/4885CYP2D6 3121/4885DNM1 3562/4885 |
“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.