Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7096585 | 1.00 | TSHR (0.40) | TSHRALDH1A1TDP1 | |
| SCHEMBL5693921 | 1.00 | TSHR (0.40) | TSHRALDH1A1TDP1 | |
| SCHEMBL6371024 | 0.97 | — | — | |
| SCHEMBL1561895 | 0.86 | — | — | |
| SCHEMBL30899237 | 0.86 | — | — | |
| SCHEMBL11048189 | 0.82 | — | — | |
| SCHEMBL22634910 | 0.76 | TSHR (0.40) | TSHRALDH1A1TDP1 | |
| SCHEMBL541454 | 0.75 | TSHR (0.43) | TSHRALDH1A1TDP1 | |
| SCHEMBL9775287 | 0.75 | ALDH1A1 (0.36) | TSHRALDH1A1TDP1 | |
| SCHEMBL8695237 | 0.75 | ALDH1A1 (0.36) | TSHRALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005021473-A1 | METHOD FOR PRODUCING 1,1,1,3-TETRACHLOROPROPANE AND OTHER HALOALKANES WITH IRON CATALYST | VULCAN CHEMICALS A BUSINESS GROUP OF VULCAN MATERIALS COMPANY (US) | 2005-03-10 | — | — | WO | disclosed |
| US-20040225166-A1 | Method for producing 1,1,1,3-tetrachloropropane and other haloalkanes with iron catalyst | VULCAN CHEMICALS A BUSINESS GROUP OF VULCAN MATERIALS COMPANY | 2004-11-11 | — | — | US | disclosed |