Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL3194342 | 0.78 | HTR2A (0.33) | HTTKIF11ALDH1A1TSHR | |
| SCHEMBL30434709 | 0.70 | HTT (0.46) | HTTKIF11ALDH1A1TSHRATM | |
| SCHEMBL9962944 | 0.69 | LMNA (0.36) | HTTALDH1A1ATM | |
| SCHEMBL830678 | 0.69 | PYCR1 (0.37) | HTTALDH1A1TSHRATM | |
| SCHEMBL2688608 | 0.68 | HTT (0.53) | HTTKIF11ALDH1A1TSHRATM | |
| Hydrochloric Acid SCHEMBL11764056 | 0.67 | HTT (0.52) | HTTKIF11ALDH1A1TSHRATM | |
| SCHEMBL7131764 | 0.66 | HTT (0.45) | HTTALDH1A1TSHRATM | |
| SCHEMBL8508636 | 0.65 | HTT (0.44) | HTTKIF11ALDH1A1TSHRATM | |
| SCHEMBL9593286 | 0.64 | HTT (0.49) | HTTKIF11ALDH1A1TSHRATM | |
| SCHEMBL30434781 | 0.64 | PYCR1 (0.36) | HTTALDH1A1TSHR |
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-2252598-A2 | 1,3-OXAZEPAN-2-ONE AND 1,3-DIAZEPAN-2-ONE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 | Vitae Pharmaceuticals, Inc. (US) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009102428-A2 | 1,3-OXAZEPAN-2-ONE AND 1,3-DIAZEPAN-2-ONE INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. (US) | 2009-08-20 | — | — | WO | disclosed |