Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8046257 | 0.68 | TSHR (0.33) | GLATSHRAPEX1KDM4ECA12 | |
| SCHEMBL515800 | 0.62 | PTGS1 (0.52) | TSHRKDM4ECA12CA9PTGS1 | |
| SCHEMBL16427833 | 0.60 | TSHR (0.33) | TSHR | |
| Hydrochloric Acid SCHEMBL28991159 | 0.60 | PTGS1 (0.50) | TSHRKDM4ECA12CA9PTGS1 | |
| Ethylene Glycol SCHEMBL28669577 | 0.57 | PTGS1 (0.47) | TSHRKDM4ECA12CA9PTGS1 | |
| SCHEMBL8924542 | 0.56 | ALDH1A1 (0.33) | TSHRKDM4EKMT2A | |
| Alcohol SCHEMBL29133233 | 0.56 | GSK3A (0.55) | TSHRCA12CA9PTGS1PTGS2 | |
| 1,4-Butanediol SCHEMBL5570451 | 0.55 | PTGS1 (0.48) | TSHRKDM4ECA12CA9PTGS1 | |
| SCHEMBL8767999 | 0.55 | TSHR (0.42) | GLATSHRAPEX1KDM4ECA12 | |
| SCHEMBL8924494 | 0.54 | KEAP1 (0.38) | APEX1 |
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-0747392-B1 | 1,2-Diazepine containing dual action inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2000-11-02 | — | — | EP | disclosed |