Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CHKA | P35790 | 1/20 | 0.47 |
| ▸ | PTGIR | P43119 | 1/20 | 0.47 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20034212 | 0.80 | SIGMAR1 (0.68) | SIGMAR1LMNAMAPK1HTTPOLB | |
| SCHEMBL24672913 | 0.79 | HDAC1 (0.46) | SIGMAR1LMNAPOLBSMN1; SMN2CYP2D6 | |
| SCHEMBL5995601 | 0.78 | KDM4E (0.48) | SIGMAR1LMNAMAPK1HTTPOLB | |
| SCHEMBL1043952 | 0.78 | SIGMAR1 (0.85) | SIGMAR1LMNAMAPK1POLBPKM | |
| SCHEMBL20804352 | 0.78 | SIGMAR1 (0.85) | SIGMAR1LMNAMAPK1POLBPKM | |
| SCHEMBL6450318 | 0.78 | SIGMAR1 (0.67) | SIGMAR1LMNAPOLBPKMSMN1; SMN2 | |
| SCHEMBL19285228 | 0.78 | SIGMAR1 (0.85) | SIGMAR1LMNAMAPK1POLBPKM | |
| SCHEMBL15296750 | 0.77 | LMNA (0.60) | SIGMAR1LMNAMAPK1HTTPOLB | |
| SCHEMBL4474183 | 0.75 | KDM4E (0.74) | SIGMAR1LMNAMAPK1HTT | |
| SCHEMBL8035796 | 0.75 | SIGMAR1 (0.68) | SIGMAR1LMNAMAPK1HTTPOLB |
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-2022204065-A1 | IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2022-09-29 | — | — | WO | disclosed |