Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.57 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CDC25B | P30305 | 2/20 | 0.46 |
| ▸ | CDC25A | P30304 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9715729 | 0.85 | ALDH1A1 (0.61) | ALDH1A1ALOX15AKR1C3NAPRTDAO | |
| SCHEMBL516298 | 0.82 | HPGD (0.54) | ALDH1A1ALOX15AKR1C3CES2CES1 | |
| SCHEMBL7187335 | 0.80 | CES2 (0.67) | ALDH1A1ALOX15AKR1C3CES2CES1 | |
| Benzil SCHEMBL9821252 | 0.80 | CES2 (0.74) | ALDH1A1ALOX15AKR1C3CES2CES1 | |
| SCHEMBL761381 | 0.80 | CES2 (0.65) | ALDH1A1CES2CES1NAPRTDAO | |
| SCHEMBL809349 | 0.79 | ALDH1A1 (0.82) | ALDH1A1ALOX15AKR1C3CES2CES1 | |
| SCHEMBL31532967 | 0.79 | ALDH1A1 (0.82) | ALDH1A1ALOX15AKR1C3CES2CES1 | |
| SCHEMBL30099839 | 0.78 | ALDH1A1 (0.64) | ALDH1A1ALOX15AKR1C3NAPRTDAO | |
| SCHEMBL13101653 | 0.78 | ALDH1A1 (0.64) | ALDH1A1ALOX15AKR1C3NAPRTDAO | |
| SCHEMBL10476789 | 0.78 | CES2 (0.67) | ALDH1A1CES2CES1NAPRTDAO |
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 |
|---|---|---|---|---|---|---|---|
| JP-53018531-A | — | — | None | — | — | JP | disclosed |
| JP-S5318531-A | 2-(ALPHA-SUBSTITUTED ACRYLOYL) BENZOIC ACID COMPOUNDS AND THEIR PREPARATION | MITSUBISHI PETROCHEM CO LTD | 1978-02-20 | — | — | JP | disclosed |