Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | KDM6B | O15054 | 1/20 | 0.32 |
| ▸ | KDM5C | P41229 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.32 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | SI | P14410 | 1/20 | 0.30 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL28657139 | 0.85 | — | — | |
| Acetonitrile SCHEMBL9304948 | 0.85 | — | — | |
| SCHEMBL10001 | 0.82 | — | — | |
| SCHEMBL28060459 | 0.82 | ALDH1A1 (1.00) | ALDH1A1LMNASLC15A2TDP1ACHE | |
| Acetonitrile SCHEMBL17333200 | 0.80 | MGAM (0.43) | ALDH1A1LMNASLC15A2TDP1TRPA1 | |
| Butanone SCHEMBL5258344 | 0.80 | — | — | |
| Acetonitrile SCHEMBL15421645 | 0.79 | CES1 (0.50) | ALDH1A1TDP1PAOXCES1 | |
| Acetone SCHEMBL304990 | 0.78 | — | — | |
| SCHEMBL6801343 | 0.78 | — | — | |
| Acetone SCHEMBL641922 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1317275-C | Sulfoxide compound and acetone complex, and production method thereof | EISAI R&D MAN CO LTD (JP) | 2007-05-23 | — | — | CN | disclosed |
| US-4871430-A | USING NITRILES, KETONES, ACIDS, OR ESTERS | THE DOW CHEMICAL COMPANY (US) | 1989-10-03 | — | — | US | disclosed |