Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 12/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | RPA1 | P27694 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12304379 | 0.82 | TP53 (0.47) | ALPLTP53HCAR3CA9CA12 | |
| SCHEMBL27028223 | 0.73 | TP53 (0.51) | ALPLTP53HCAR3CA12RPA1 | |
| SCHEMBL1423106 | 0.72 | — | — | |
| SCHEMBL27464512 | 0.72 | ALPL (0.55) | ALPLTP53HCAR3CA9CA12 | |
| Hydrochloric Acid SCHEMBL23780332 | 0.71 | ALPL (0.53) | ALPLTP53HCAR3CA9CA12 | |
| Ethane SCHEMBL4702984 | 0.71 | ALPL (0.53) | ALPLTP53HCAR3CA9CA12 | |
| SCHEMBL7878964 | 0.70 | — | — | |
| SCHEMBL70577 | 0.70 | HCAR2 (0.59) | ALPLTP53HCAR3CA12HCAR2 | |
| SCHEMBL1815487 | 0.69 | MAPK1 (0.48) | ALPLTP53HCAR3CA9CA12 | |
| Hydrochloric Acid SCHEMBL11595364 | 0.68 | HCAR2 (0.57) | ALPLTP53HCAR3CA12HCAR2 |
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-5126446-A | Cyclization of 3-methyl-2-(4-chlorosulfinyl-2-oxo-3-amino-1-azetidinyl)-3-butenoic acid esters using lewis acid friedel-crafts catalyst, nitro compound, anhydrous conditions | ELI LILLY AND COMPANY (US) | 1992-06-30 | — | — | US | disclosed |