Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Ethyl Chloride SCHEMBL11023458 | 0.86 | TSHR (0.31) | TSHRTDP1ALDH1A1 | |
| 1,2-Dichloroethane SCHEMBL15156482 | 0.83 | ALDH1A1 (0.36) | TSHRALDH1A1 | |
| Methylene Chloride SCHEMBL28633238 | 0.82 | ALDH1A1 (0.33) | TSHRTDP1ALDH1A1 | |
| Butane SCHEMBL3799640 | 0.82 | TSHR (0.33) | TSHRTDP1ALDH1A1 | |
| Water SCHEMBL28300553 | 0.81 | TSHR (0.57) | TSHRTDP1ALDH1A1 | |
| Methylene Chloride SCHEMBL5481886 | 0.79 | ALDH1A1 (0.31) | TSHRTDP1ALDH1A1 | |
| Propane SCHEMBL1683354 | 0.78 | TSHR (0.36) | TSHRTDP1ALDH1A1 | |
| Butane SCHEMBL4463544 | 0.76 | ALDH1A1 (0.38) | TSHRTDP1ALDH1A1 | |
| Hexane SCHEMBL7875362 | 0.76 | TSHR (0.47) | TSHRALDH1A1 | |
| SCHEMBL11423978 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105085464-A | Synthesis method of doxepin hydrochloride | SUZHOU TONGHUA MEDICINE CO LTD | 2015-11-25 | — | — | CN | disclosed |