Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7705582 | 0.83 | KDM1A (0.44) | KDM1ACNR2CYP1A2 | |
| SCHEMBL2589432 | 0.80 | KDM1A (0.46) | KDM1ACNR2CYP1A2 | |
| SCHEMBL2594626 | 0.65 | KDM1A (0.41) | KDM1ACYP1A2 | |
| SCHEMBL1082952 | 0.65 | HTR4 (0.41) | CNR2OPRM1OPRK1OPRL1 | |
| SCHEMBL2587012 | 0.62 | KDM1A (0.39) | KDM1A | |
| SCHEMBL3032933 | 0.62 | CNR2 (0.49) | KDM1ACNR2SIGMAR1 | |
| SCHEMBL10145950 | 0.61 | MAPK14 (0.53) | CHEK1METAP2 | |
| SCHEMBL6925072 | 0.60 | ALDH1A1 (0.49) | OPRM1OPRK1OPRL1 | |
| SCHEMBL6925075 | 0.60 | ALDH1A1 (0.49) | OPRM1OPRK1OPRL1 | |
| SCHEMBL4616539 | 0.60 | SLC6A2 (0.51) | CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011137046-A1 | SUBSTITUTED 1,3-BENZOTHIAZOL-2(3H)-ONES AND [1,3]THIAZOLO[5,4-B]PYRIDIN-2(1H)-ONES AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2011-11-03 | — | — | WO | disclosed |