Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.42 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11663639 | 0.81 | CA1 (0.49) | MAPTKDM4EALDH1A1GLAGAA | |
| SCHEMBL7876427 | 0.79 | KDM4E (0.51) | MAPTKDM4EALDH1A1GLAGAA | |
| SCHEMBL7503917 | 0.77 | PTPN1 (0.57) | KDM4EALDH1A1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL7499875 | 0.76 | MAOB (0.56) | MAPTKDM4EALDH1A1GLAHPGD | |
| SCHEMBL10761266 | 0.75 | PTPN1 (0.42) | MAPTALDH1A1PTGS2VKORC1PTPN1 | |
| SCHEMBL7685589 | 0.75 | MAPK14 (0.53) | MAPTKDM4EALDH1A1GLAGAA | |
| SCHEMBL27159526 | 0.74 | PTGS2 (0.47) | MAPTKDM4EALDH1A1GLAGAA | |
| SCHEMBL11545425 | 0.74 | TNKS (0.39) | MAPTALDH1A1SMN1; SMN2PTGS2PTPN1 | |
| SCHEMBL11667185 | 0.74 | TNKS (0.52) | ALDH1A1PTGS2PTPN1ARTNKS | |
| SCHEMBL11464896 | 0.73 | TNKS (0.55) | MAPTKDM4EALDH1A1GLAGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6329421-B1 | PHENYL-SUBSTITUTED BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES; NONSTEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA & CO. (CA) | 2001-12-11 | — | — | US | disclosed |
| EP-0778834-B1 | DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 | MERCK FROSST CANADA INC (CA) | 2000-01-26 | — | — | EP | disclosed |
| US-5521213-A | NONSTEROID ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1996-05-28 | — | — | US | disclosed |