Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL11559140 | 0.73 | TSHR (0.35) | TSHRLMNATHRBDNM1ALDH1A1 | |
| SCHEMBL7321139 | 0.71 | TSHR (0.33) | TSHRLMNATHRBDNM1 | |
| Ethyne SCHEMBL9421925 | 0.69 | TSHR (0.32) | TSHRLMNATHRB | |
| SCHEMBL14914216 | 0.69 | TSHR (0.32) | TSHRLMNATDP1THRB | |
| Pentane SCHEMBL8817245 | 0.66 | TSHR (0.64) | TSHRLMNATDP1THRBDNM1 | |
| Hexane SCHEMBL6072655 | 0.66 | TSHR (0.58) | TSHRLMNATDP1THRBDNM1 | |
| SCHEMBL14157251 | 0.65 | TSHR (0.40) | TSHRLMNATDP1THRBALDH1A1 | |
| SCHEMBL131268 | 0.65 | — | — | |
| SCHEMBL1131 | 0.65 | TSHR (0.40) | TSHRLMNATDP1THRBALDH1A1 | |
| SCHEMBL7186853 | 0.65 | TSHR (0.40) | TSHRLMNATDP1THRBALDH1A1 |
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-2008063134-A1 | METHOD OF PRODUCING A PATTERN OF DISCRIMINATIVE WETTABILITY | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2008-05-29 | — | — | WO | disclosed |