Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | PPARA | Q07869 | 5/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | F2RL3 | Q96RI0 | 2/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13071505 | 0.86 | NPC1 (0.51) | SMN1; SMN2PPARAPTGS1PTGS2NPC1 | |
| SCHEMBL11205218 | 0.81 | SMN1; SMN2 (0.51) | SMN1; SMN2NPSR1LOXL2IDO1PPARA | |
| SCHEMBL31731086 | 0.79 | DYRK1A (0.50) | SMN1; SMN2NPSR1NPC1RAB9AF2RL3 | |
| SCHEMBL14726593 | 0.79 | MAPT (0.53) | SMN1; SMN2PTGS1NPC1RAB9AF2RL3 | |
| SCHEMBL780242 | 0.77 | SMN1; SMN2 (0.61) | SMN1; SMN2NPSR1LOXL2IDO1PPARA | |
| SCHEMBL14288351 | 0.76 | RAB9A (0.45) | SMN1; SMN2PPARAHDAC6NPC1RAB9A | |
| SCHEMBL1049510 | 0.76 | SMN1; SMN2 (0.61) | SMN1; SMN2NPSR1LOXL2IDO1PPARA | |
| SCHEMBL29361355 | 0.76 | SMN1; SMN2 (0.61) | SMN1; SMN2NPSR1LOXL2IDO1PPARA | |
| SCHEMBL16425158 | 0.75 | LOXL2 (0.64) | SMN1; SMN2NPSR1LOXL2IDO1PPARA | |
| SCHEMBL12470591 | 0.74 | KDM4E (0.64) | SMN1; SMN2HDAC6NPC1RAB9AGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2563143-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) | 2013-03-06 | — | — | EP | disclosed |
| 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 |