Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.38 |
| ▸ | ITGAV | P06756 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | CCKAR | P32238 | 1/20 | 0.36 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7160899 | 0.93 | PTPN1 (0.49) | PTPN1NPC1RAB9AITGB3ITGAV | |
| SCHEMBL7478067 | 0.87 | PTPN1 (0.44) | PTPN1MAPTNPC1RAB9AITGB3 | |
| SCHEMBL4850590 | 0.86 | CCKAR (0.35) | MAPTITGB3ITGAVSMN1; SMN2CCKAR | |
| SCHEMBL7479810 | 0.86 | MAPT (0.44) | MAPTNPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL3050522 | 0.86 | PTPN1 (0.51) | PTPN1NPC1RAB9AITGB3ITGAV | |
| SCHEMBL7469216 | 0.84 | ITGB3 (0.39) | MAPTNPC1RAB9AITGB3ITGAV | |
| SCHEMBL8330384 | 0.83 | IDO1 (0.40) | ITGB3SMN1; SMN2CCKARCCKBRL3MBTL1 | |
| SCHEMBL4683912 | 0.83 | IDO1 (0.40) | ITGB3SMN1; SMN2CCKARCCKBRL3MBTL1 | |
| SCHEMBL7363235 | 0.81 | KLK5 (0.42) | CCKARCCKBRTACR1SCN9A | |
| SCHEMBL8330414 | 0.81 | CCKAR (0.34) | MAPTITGB3ITGAVSMN1; SMN2CCKAR |
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-0964856-B1 | BICYCLIC AMINO ACIDS | MERCK PATENT GMBH (DE) | 2002-10-09 | — | — | EP | disclosed |