Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.89 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.89 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.71 |
| ▸ | HPGD | P15428 | 1/20 | 0.71 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.71 |
| ▸ | ABAT | P80404 | 1/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.71 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.68 |
| ▸ | RAB9A | P51151 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | APP | P05067 | 2/20 | 0.57 |
| ▸ | TUBB1 | Q9H4B7 | 7/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.54 |
| ▸ | NQO1 | P15559 | 1/20 | 0.54 |
| ▸ | NQO2 | P16083 | 1/20 | 0.54 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Isovanillin SCHEMBL1535672 | 0.94 | ALDH1A1 (1.00) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL70256 | 0.94 | ALDH1A1 (1.00) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL29396443 | 0.94 | ALDH1A1 (1.00) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Vanillin SCHEMBL10854393 | 0.91 | ALDH1A1 (0.86) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL28052909 | 0.91 | ALDH1A1 (0.93) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Protocatechualdehyde SCHEMBL28302764 | 0.88 | ALDH1A1 (0.70) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL15259649 | 0.88 | ALDH1A1 (0.86) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL28288925 | 0.86 | ALDH1A1 (0.83) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL28288896 | 0.86 | ALDH1A1 (0.83) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL8972210 | 0.85 | ALDH1A1 (0.81) | ALDH1A1AOX1TRIM24HPGDALDH5A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998008813-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED PYRROLIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |