Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL25947932 | 1.00 | ABCB1 (0.58) | ABCB1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL6369583 | 0.90 | ABCB1 (0.69) | ABCB1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL13635632 | 0.84 | ABCB1 (0.51) | ABCB1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL22864687 | 0.83 | ABCB1 (0.57) | ABCB1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL3506070 | 0.83 | CA2 (0.67) | ABCB1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL25946919 | 0.82 | ABCB1 (0.56) | ABCB1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL24746023 | 0.79 | MAOA (0.80) | ABCB1GAAMAOAMAOBSLC6A4 | |
| SCHEMBL913887 | 0.78 | ABCB1 (0.67) | ABCB1L3MBTL1KDM4EMAPTGAA | |
| SCHEMBL12010114 | 0.78 | MAOA (0.67) | ABCB1GAAKMT2AMAOAMAOB | |
| SCHEMBL6369710 | 0.78 | CA2 (0.44) | ABCB1L3MBTL1KDM4EMAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-8173672-B2 | Quinolizidinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2012-05-08 | — | — | US | disclosed |