Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.90 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 6/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.50 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL14969 | 0.95 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL28984633 | 0.95 | ALDH1A1 (1.00) | ALDH1A1ATMTSHRCHRM5CHRM1 | |
| Acetic Acid Butyl Ester SCHEMBL28960923 | 0.95 | ALDH1A1 (1.00) | ALDH1A1ATMTSHRCHRM5CHRM1 | |
| Acetic Acid Butyl Ester SCHEMBL1350194 | 0.95 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL8026335 | 0.95 | ALDH1A1 (1.00) | ALDH1A1ATMTSHRCHRM5CHRM1 | |
| Acetic Acid Butyl Ester SCHEMBL25225804 | 0.92 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL9247031 | 0.92 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL9555412 | 0.92 | ALDH1A1 (0.95) | ALDH1A1ATMTSHRCHRM5CHRM1 | |
| Acetic Acid Butyl Ester SCHEMBL10618702 | 0.92 | ALDH1A1 (0.95) | ALDH1A1ATMTSHRCHRM5CHRM1 | |
| Acetic Acid Butyl Ester SCHEMBL3081760 | 0.92 | ALDH1A1 (0.95) | ALDH1A1ATMTSHRCHRM5CHRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1395559-A | Process for the preparation of alpha- (2, 4-disulfophenyl) -N-tert-butylnitrone and pharmaceutically acceptable salts thereof | ASTRAZENECA AB (SE) | 2003-02-05 | — | — | CN | claimed |
| CN-1198798-C | Novel process for preparation of alpha-(2.4-disulfophenyl)-N-tert-butylnitrone and pharmaceutically acceptable salts thereof | ASTRAZENECA AB (SE) | 2005-04-27 | — | — | CN | disclosed |
| CN-1395559-A | Process for the preparation of alpha- (2, 4-disulfophenyl) -N-tert-butylnitrone and pharmaceutically acceptable salts thereof | ASTRAZENECA AB (SE) | 2003-02-05 | — | — | CN | disclosed |