Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.49 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GGT1 | P19440 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL247351 | 0.91 | PTGS2 (0.57) | HSD17B10ALDH1A1PTGS2KDM4EHPGD | |
| Ammonia Solution, Strong SCHEMBL4479016 | 0.89 | PTGS2 (0.55) | HSD17B10ALDH1A1PTGS2KDM4EHPGD | |
| Acetic Acid Methyl Ester SCHEMBL10557652 | 0.81 | TSHR (0.48) | ALDH1A1KDM4ETSHRTDP1KMT2A | |
| SCHEMBL27616771 | 0.81 | PTGS2 (0.47) | HSD17B10ALDH1A1PTGS2KDM4EHPGD | |
| SCHEMBL361220 | 0.81 | PTGS2 (0.59) | HSD17B10ALDH1A1PTGS2KDM4EHPGD | |
| Acetone SCHEMBL28833411 | 0.80 | CES2 (0.46) | HSD17B10ALDH1A1KDM4EHPGDHMGB1 | |
| SCHEMBL27820960 | 0.79 | PTGS2 (0.57) | HSD17B10ALDH1A1PTGS2KDM4EHPGD | |
| SCHEMBL6606361 | 0.79 | PTGS2 (0.57) | HSD17B10ALDH1A1PTGS2KDM4EHPGD | |
| SCHEMBL28331402 | 0.79 | PTGS2 (0.57) | HSD17B10ALDH1A1PTGS2KDM4EHPGD | |
| Acetic Acid SCHEMBL10892819 | 0.78 | KDM4E (0.44) | HSD17B10ALDH1A1KDM4EHPGDESR1 |
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-2002006255-A2 | HYDROXY-(PIPERIDIN-4-YL-METHYLAMINO)-ALKYL BETA-3 ADRENERGIC RECEPTOR ANTAGONISTS | WYETH (US) | 2002-01-24 | — | — | WO | disclosed |