Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20583808 | 0.74 | NOS3 (0.34) | ALDH1A1TSHRNOS3NOS1NOS2 | |
| SCHEMBL1089255 | 0.72 | — | — | |
| SCHEMBL4744490 | 0.64 | ALDH1A1 (0.30) | ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL5607018 | 0.63 | — | — | |
| SCHEMBL9670561 | 0.61 | SIGMAR1 (0.64) | KCNH2HRH3 | |
| SCHEMBL8465110 | 0.61 | HTR2A (0.43) | ALDH1A1TSHRKCNH2HRH3 | |
| SCHEMBL525718 | 0.60 | — | — | |
| SCHEMBL449043 | 0.60 | — | — | |
| SCHEMBL19146986 | 0.60 | SIGMAR1 (0.55) | KCNH2HRH3 | |
| SCHEMBL3887277 | 0.58 | — | — |
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-2017103623-A1 | METAL COMPLEXES | UNIVERSITY OF LEEDS (GB) | 2017-06-22 | — | — | WO | disclosed |