Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | SPR | P35270 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGAV | P06756 | 1/20 | 0.42 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.42 |
| ▸ | GYS1 | P13807 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL9554763 | 1.00 | CA2 (0.49) | CA2SPRALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL9555317 | 1.00 | CA2 (0.49) | CA2SPRALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL1921996 | 0.85 | NPC1 (0.49) | SPRALDH1A1L3MBTL1KMT2A | |
| SCHEMBL10509618 | 0.81 | SPR (0.46) | SPRALDH1A1SMN1; SMN2 | |
| SCHEMBL845442 | 0.78 | CYP2C9 (0.43) | ALDH1A1KMT2A | |
| SCHEMBL3168169 | 0.78 | DGAT1 (0.58) | CA2ALDH1A1SMN1; SMN2L3MBTL1DGAT1 | |
| SCHEMBL3168186 | 0.78 | DGAT1 (0.58) | CA2ALDH1A1SMN1; SMN2L3MBTL1DGAT1 | |
| SCHEMBL7852753 | 0.77 | TDP1 (0.49) | CA2ALDH1A1SMN1; SMN2L3MBTL1DGAT1 | |
| SCHEMBL3716813 | 0.77 | ALDH1A1 (0.44) | CA2ALDH1A1SMN1; SMN2L3MBTL1DGAT1 | |
| SCHEMBL19474987 | 0.77 | ALDH1A1 (0.55) | CA2ALDH1A1SMN1; SMN2L3MBTL1DGAT1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5250517-A | Hypotensive and cardiotonic agents; cardiac insufficiency | HOFFMANN-LA ROCHE INC. (US) | 1993-10-05 | — | — | US | disclosed |
| EP-0310918-A2 | Peptide-like amino-acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-04-12 | — | — | EP | disclosed |