Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.68 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.68 |
| ▸ | HTR1A | P08908 | 1/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.68 |
| ▸ | MC4R | P32245 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL3242275 | 0.91 | PTGS2 (0.65) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL3240070 | 0.85 | PTGS2 (0.73) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL3246811 | 0.85 | PTGS2 (0.78) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL3242041 | 0.84 | PTGS2 (0.68) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL3246187 | 0.84 | PTGS2 (0.73) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL6339818 | 0.83 | PTGS2 (0.66) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL3246743 | 0.83 | PTGS2 (0.73) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL4434618 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| Rofecoxib SCHEMBL14163950 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 | |
| SCHEMBL5858026 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1MT-CO2 |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2185149-A1 | USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED | H. Lundbeck A/S (DK) | 2010-05-19 | — | — | EP | claimed |
| EP-1390026-B1 | TREATMENT OF HPV CAUSED DISEASES | CORNELL RES FOUNDATION INC (US) | 2010-05-05 | — | — | EP | claimed |
| EP-1146789-B1 | TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU | CORNELL RES FOUNDATION INC (US) | 2009-03-18 | — | — | EP | claimed |
| WO-2009015667-A1 | USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED | H. LUNDBECK A/S (DK) | 2009-02-05 | — | — | WO | claimed |
| JP-2006524641-A | — | — | 2006-11-02 | — | — | JP | claimed |
| EP-1631546-A1 | SUSTITUTED INDOLINE AND INDOLE DERIVATIVES | H. Lundbeck A/S (DK) | 2006-03-08 | — | — | EP | claimed |
| WO-2004096767-A1 | SUSTITUTED INDOLINE AND INDOLE DERIVATIVES | H. LUNDBECK A/S (DK) | 2004-11-11 | — | — | WO | claimed |
| EP-0980866-A2 | Phenyl heterocycles as cyclooxygenase-2 inhibitors | Merck Frosst Canada & Co. (CA) | 2000-02-23 | — | — | EP | claimed |
| JP-2977137-B2 | — | — | 1999-11-10 | — | — | JP | claimed |
| JP-2788677-B2 | — | — | 1998-08-20 | — | — | JP | claimed |
| EP-0822190-A1 | Phenyl heterocycles as cyclooxygenase-2 inhibitors | MERCK FROSST CANADA INC. (CA) | 1998-02-04 | — | — | EP | claimed |
| EP-0754687-A1 | Phenyl heterocycles as cyclooxygenase-2 inhibitors | MERCK FROSST CANADA INC. (CA) | 1997-01-22 | — | — | EP | claimed |
| EP-0705254-A1 | PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-04-10 | — | — | EP | claimed |
| US-5474995-A | Nonsteroidal, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1995-12-12 | — | — | US | claimed |
| WO-1995018799-A1 | PHENYL HETEROCYCLES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1995-07-13 | — | — | WO | claimed |
| WO-1995000501-A2 | PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1995-01-05 | — | — | WO | claimed |
| EP-2185149-A1 | USE OF KNCQ POTASSIUM CHANNEL OPENERS FOR REDUCING SYMPTOMS OF OR TREATING DISORDERS OR CONDITIONS WHEREIN THE DOPAMINERGIC SYSTEM IS DISRUPTED | H. Lundbeck A/S (DK) | 2010-05-19 | — | — | EP | disclosed |
| EP-1146789-B1 | TREATING CANCERS ASSOCIATED WITH OVEREXPRESSION OF HER-2/NEU | CORNELL RES FOUNDATION INC (US) | 2009-03-18 | — | — | EP | disclosed |
| WO-1995018799-A1 | PHENYL HETEROCYCLES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1995-07-13 | — | — | WO | disclosed |
| WO-1995000501-A2 | PHENYL HETEROCYCLES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1995-01-05 | — | — | WO | disclosed |