Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 3/20 | 0.52 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 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 | |
|---|---|---|---|---|
| SCHEMBL5350107 | 0.89 | CACNA1B (0.49) | CACNA1BCPB2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL5356175 | 0.87 | CACNA1B (0.58) | CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL5352497 | 0.87 | CACNA1B (0.58) | CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL5348996 | 0.87 | CACNA1B (0.58) | CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL5351877 | 0.86 | CACNA1B (0.57) | CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL5344664 | 0.85 | CACNA1B (0.50) | CACNA1BCPB2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL5354959 | 0.85 | CACNA1B (0.55) | CACNA1BCPB2ALDH1A1LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5428599 | 0.85 | CACNA1B (0.49) | CACNA1BCPB2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL5349693 | 0.84 | CACNA1B (0.52) | CACNA1BCPB2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL5345166 | 0.84 | CACNA1B (0.48) | CACNA1BCPB2ALDH1A1LMNASMN1; SMN2 |
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-7166590-B2 | Amino acid derivatives | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-01-23 | — | — | US | claimed |