Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL7413262 | 0.77 | CES2 (0.43) | CES1CES2ALDH1A1HPGDDAO | |
| SCHEMBL8880417 | 0.77 | CES2 (0.43) | CES1CES2ALDH1A1DAO | |
| SCHEMBL15287547 | 0.76 | CES1 (0.48) | CES1CES2NPC1RAB9AF2 | |
| SCHEMBL2974322 | 0.72 | CES2 (0.39) | CES1CES2 | |
| SCHEMBL6525908 | 0.72 | CES2 (0.42) | CES1CES2ALDH1A1 | |
| SCHEMBL28234621 | 0.70 | CES1 (0.50) | CES1CES2RAB9ATTRALDH1A1 | |
| SCHEMBL29101509 | 0.68 | CYP3A4 (0.41) | CES1CES2ALDH1A1HPGDTSHR | |
| SCHEMBL3219002 | 0.68 | PGK1 (0.48) | CES1CES2 | |
| SCHEMBL1201613 | 0.68 | CES2 (0.39) | CES1CES2 | |
| SCHEMBL30524326 | 0.67 | PDE2A (0.40) | CES1CES2TSHRGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0223735-B1 | PROCESS FOR THE PREPARATION OF HEMIAMINALES, HEMIAMINALES AND THEIR USE | CIBA-GEIGY AG (CH) | 1989-11-08 | — | — | EP | disclosed |
| EP-0223735-A1 | Process for the preparation of hemiaminales, hemiaminales and their use | CIBA-GEIGY AG (CH) | 1987-05-27 | — | — | EP | disclosed |