Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6650882 | 0.85 | CA2 (0.55) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL29060824 | 0.77 | CA2 (0.35) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL18597006 | 0.76 | CA2 (0.38) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| Potassium SCHEMBL31325077 | 0.76 | CA2 (0.38) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL22633950 | 0.76 | CA2 (0.38) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL9938068 | 0.73 | ALDH1A1 (0.36) | CYP2C9PTGS1AKR1C3ALDH1A1LMNA | |
| SCHEMBL26345845 | 0.73 | CA2 (0.35) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL28351792 | 0.72 | — | — | |
| SCHEMBL381237 | 0.71 | TP53 (0.41) | CYP2C9PTGS1AKR1C3ALDH1A1LMNA | |
| SCHEMBL18288141 | 0.71 | CA2 (0.39) | CA2MAPK1USP2TSHRCA1 |
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-5731455-A | ALKYL 2-ALKYLACYLACRYLATE CHEMICAL INTERMEDIATE; ANTICHOLESTEROL AGENTS | SHIONOGI & CO., LTD. (JP) | 1998-03-24 | — | — | US | disclosed |