Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 7/20 | 0.78 |
| ▸ | AKR1C2 | P52895 | 7/20 | 0.78 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.54 |
| ▸ | AKR1C4 | P17516 | 3/20 | 0.54 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.54 |
| ▸ | AR | P10275 | 2/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.54 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.54 |
| ▸ | PPARG | P37231 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | PTGES | O14684 | 1/20 | 0.54 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.54 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5270011 | 0.92 | AKR1C3 (0.74) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL29481380 | 0.88 | AKR1C3 (1.00) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL11037919 | 0.88 | AKR1C3 (1.00) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| Acetic Acid SCHEMBL11761270 | 0.87 | AKR1C3 (0.93) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL6398479 | 0.84 | AKR1C3 (0.66) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL10788768 | 0.84 | AKR1C3 (0.78) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL5269541 | 0.82 | AKR1C3 (0.74) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL5267225 | 0.82 | AKR1C3 (0.74) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL5268346 | 0.82 | AKR1C3 (0.70) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 | |
| SCHEMBL5269841 | 0.81 | AKR1C3 (0.73) | AKR1C3AKR1C2TUBB1PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1225882-B1 | SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES | UNIV VANDERBILT (US) | 2007-10-17 | — | — | EP | claimed |
| EP-1225882-A4 | SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES | UNIV VANDERBILT (US) | 2004-12-29 | — | — | EP | claimed |
| JP-2003508433-A | — | — | 2003-03-04 | — | — | JP | claimed |
| EP-1225882-A1 | SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES | Vanderbilt University (US) | 2002-07-31 | — | — | EP | claimed |
| US-6306890-B1 | COMPOUNDS FOR INHIBITING CYCLOOXYGENASE | VANDERBILT UNIVERSITY | 2001-10-23 | — | — | US | claimed |
| WO-2001015686-A1 | SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES | VANDERBILT UNIVERSITY (US) | 2001-03-08 | — | — | WO | claimed |
| EP-1225882-B1 | SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES | UNIV VANDERBILT (US) | 2007-10-17 | — | — | EP | disclosed |
| EP-1225882-A4 | SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES | UNIV VANDERBILT (US) | 2004-12-29 | — | — | EP | disclosed |
| EP-1225882-A1 | SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES | Vanderbilt University (US) | 2002-07-31 | — | — | EP | disclosed |
| US-6306890-B1 | COMPOUNDS FOR INHIBITING CYCLOOXYGENASE | VANDERBILT UNIVERSITY | 2001-10-23 | — | — | US | disclosed |
| WO-2001015686-A1 | SELECTIVE COX-2 INHIBITORY NOVEL ESTERS FROM INDOLEALKANOLS AND NOVEL AMIDES FROM INDOLEALKYLAMINES | VANDERBILT UNIVERSITY (US) | 2001-03-08 | — | — | WO | disclosed |