Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11552222 | 0.85 | BACE1 (0.42) | BACE1HTTSMN1; SMN2MAPTNPC1 | |
| SCHEMBL11552023 | 0.74 | BACE1 (0.44) | BACE1POLBMEN1KMT2AALDH1A1 | |
| SCHEMBL11552879 | 0.71 | BACE1 (0.47) | BACE1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL11548893 | 0.70 | BRD4 (0.42) | BACE1SMN1; SMN2NPC1KMT2ABRD4 | |
| SCHEMBL11550647 | 0.67 | LMNA (0.36) | BACE1HTTMAPTTSHRKMT2A | |
| Biphenyl SCHEMBL6269566 | 0.67 | MAPT (0.56) | BACE1SMN1; SMN2MAPTTSHRALDH1A1 | |
| SCHEMBL18840160 | 0.66 | POLB (0.40) | SMN1; SMN2MAPTTSHRPOLBALDH1A1 | |
| SCHEMBL18116955 | 0.65 | LMNA (0.30) | — | |
| Acetic Acid SCHEMBL27275667 | 0.65 | BCAT2 (0.54) | BACE1BCAT2SMN1; SMN2MAPTMEN1 | |
| SCHEMBL13019256 | 0.65 | ESR1 (0.42) | BACE1HTTSMN1; SMN2MAPTTSHR |
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-4152136-A | HERBICIDES | ELI LILLY AND COMPANY (US) | 1979-05-01 | — | — | US | disclosed |