Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
| ▸ | MGLL | Q99685 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL6321991 | 0.81 | HSPA5 (0.40) | HSPA5AKR1B1CYP1A2IDO1KEAP1 | |
| SCHEMBL6321987 | 0.81 | HSPA5 (0.40) | HSPA5AKR1B1CYP1A2IDO1KEAP1 | |
| SCHEMBL6982545 | 0.72 | ALOX5 (0.33) | GAAKDM4EALDH1A1HPGD | |
| SCHEMBL6988447 | 0.72 | ALOX5 (0.33) | GAAKDM4EALDH1A1HPGD | |
| SCHEMBL6989995 | 0.68 | MEN1 (0.39) | GAAKDM4EALDH1A1HPGD | |
| SCHEMBL1267579 | 0.65 | HSPA5 (0.43) | HSPA5AKR1B1CYP1A2KEAP1KDM4E | |
| Acetic Acid SCHEMBL9081320 | 0.60 | KEAP1 (0.62) | HSPA5AKR1B1KEAP1HPGD | |
| Bicarbonate SCHEMBL27740094 | 0.60 | HSPA5 (0.64) | HSPA5AKR1B1CYP1A2KEAP1IDH1 | |
| Bicarbonate SCHEMBL27760558 | 0.59 | KEAP1 (0.67) | HSPA5AKR1B1KEAP1HPGD | |
| SCHEMBL49745 | 0.59 | HSPA5 (1.00) | HSPA5AKR1B1IDO1KEAP1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1302467-A2 | Process for the preparation of substituted thiazoline derivatives and their intermediate | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2003-04-16 | — | — | EP | disclosed |