Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24672858 | 0.92 | HDAC4 (0.46) | HDAC1HDAC4KCNH2HRH3SMN1; SMN2 | |
| SCHEMBL24672258 | 0.87 | KDM4E (0.51) | HDAC1HDAC4LMNAGAAALDH1A1 | |
| SCHEMBL10903263 | 0.87 | HDAC1 (0.52) | HDAC1HDAC4KCNH2HRH3SMN1; SMN2 | |
| SCHEMBL24673200 | 0.82 | PKM (0.43) | ALDH1A1CYP2D6CYP2C9CYP2C19APOBEC3A | |
| SCHEMBL24672913 | 0.80 | HDAC1 (0.46) | HDAC1HDAC4KCNH2HRH3SMN1; SMN2 | |
| SCHEMBL24672263 | 0.80 | LMNA (0.38) | HDAC1HDAC4KCNH2HRH3SMN1; SMN2 | |
| SCHEMBL24673327 | 0.78 | POLB (0.53) | SMN1; SMN2LMNAALDH1A1ATMMEN1 | |
| SCHEMBL27486206 | 0.77 | HRH3 (0.66) | HDAC1HDAC4KCNH2HRH3SMN1; SMN2 | |
| SCHEMBL24673250 | 0.77 | SIGMAR1 (0.56) | SMN1; SMN2LMNAGAAALDH1A1APOBEC3A | |
| Calcobutrol SCHEMBL28960371 | 0.76 | SLC6A9 (0.37) | ATM |
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 |