Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SERPINE1 | P05121 | 3/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 10/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL7401051 | 0.82 | DRD4 (0.42) | SMN1; SMN2MAPTUSP2LMNAMAPK1 | |
| SCHEMBL7399588 | 0.78 | METAP1 (0.45) | MAPTCNR2THRB | |
| SCHEMBL8635323 | 0.78 | CNR1 (0.49) | MAPTLMNACNR2 | |
| SCHEMBL7396359 | 0.64 | CNR1 (0.52) | SMN1; SMN2LMNACNR2 | |
| SCHEMBL7404567 | 0.63 | DRD3 (0.52) | SMN1; SMN2USP2LMNAHTTHSD17B10 | |
| SCHEMBL3859418 | 0.62 | SERPINE1 (0.80) | SERPINE1MAPK1HTT | |
| SCHEMBL7440853 | 0.62 | CNR1 (0.52) | LMNACNR2 | |
| SCHEMBL7013587 | 0.62 | DRD3 (0.74) | SMN1; SMN2USP2LMNAHTTHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL6986818 | 0.62 | CHKA (0.63) | SLC2A1SMN1; SMN2USP2 | |
| Trifluoroacetic Acid SCHEMBL23932529 | 0.61 | DRD2 (0.62) | SLC2A1LMNAMAPK1HTTHSD17B10 |
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-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |