Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27262107 | 0.87 | KDM1A (0.42) | KDM1ACYP11B1CYP11B2POLBSMN1; SMN2 | |
| SCHEMBL15060601 | 0.75 | CYP11B1 (0.59) | CYP11B1CYP11B2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL20924272 | 0.75 | KDM1A (0.71) | KDM1A | |
| SCHEMBL266175 | 0.74 | RORC (0.54) | CYP11B1CYP11B2ALDH1A1L3MBTL1 | |
| SCHEMBL15060598 | 0.74 | ALOX5AP (0.44) | CYP11B1CYP11B2CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL27263461 | 0.74 | RAB9A (0.52) | KDM1ACYP11B1CYP11B2POLBMAPT | |
| SCHEMBL27262963 | 0.73 | CASP3 (0.55) | KDM1APOLBMAPTSMN1; SMN2NPC1 | |
| SCHEMBL15136488 | 0.72 | KDM1A (1.00) | KDM1A | |
| SCHEMBL527628 | 0.72 | KDM1A (1.00) | KDM1A | |
| SCHEMBL527629 | 0.72 | KDM1A (1.00) | KDM1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2380889-A2 | Thiazolyl MGLUR5 antagonists and methods for their use | Merck Sharp & Dohme Corp. (US) | 2011-10-26 | — | — | EP | disclosed |