Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | LSS | P48449 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22014104 | 0.89 | HRH3 (0.56) | HRH3HRH4FAAHCHKACYP2D6 | |
| SCHEMBL22014097 | 0.84 | HRH3 (0.48) | HRH3HRH4 | |
| SCHEMBL22014095 | 0.84 | FAAH (0.55) | HRH3HRH4FAAHCHKACYP2D6 | |
| SCHEMBL22014091 | 0.77 | SIGMAR1 (0.64) | FAAH | |
| SCHEMBL22014096 | 0.72 | SIGMAR1 (0.49) | CYP2D6 | |
| SCHEMBL22014099 | 0.68 | MPO (0.53) | FAAH | |
| SCHEMBL23532238 | 0.68 | MAPT (0.52) | — | |
| SCHEMBL3966649 | 0.68 | MAPT (0.52) | — | |
| SCHEMBL336769 | 0.68 | MAPT (0.52) | — | |
| SCHEMBL22355488 | 0.67 | SIGMAR1 (0.49) | — |
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-2020102820-A1 | COMPOUNDS FOR USE AS IRON (III) MRI CONTRAST AGENTS CONTAINING ANIONIC PENDENTS AND ANCILLARY GROUPS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-05-22 | — | — | WO | disclosed |