Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL24672899 | 0.80 | TSHR (0.44) | TSHRKDM4EALDH1A1MEN1POLB | |
| SCHEMBL24672945 | 0.79 | TSHR (0.43) | TSHRKDM4EALDH1A1MEN1POLB | |
| SCHEMBL24673226 | 0.75 | TSHR (0.39) | TSHRKDM4EALDH1A1MEN1POLB | |
| SCHEMBL24672231 | 0.72 | PRKCI (0.40) | KDM4EALDH1A1MEN1POLBMAPT | |
| SCHEMBL24672699 | 0.69 | POLB (0.39) | KDM4EALDH1A1MEN1POLBMAPT | |
| SCHEMBL9388579 | 0.66 | TSHR (0.53) | TSHRKDM4EALDH1A1MEN1POLB | |
| SCHEMBL31393055 | 0.66 | KMT2A (0.46) | TSHRKDM4EALDH1A1MEN1POLB | |
| SCHEMBL17383917 | 0.66 | TSHR (0.36) | TSHRKDM4EHTTTDP1 | |
| SCHEMBL24673296 | 0.64 | KDM4E (0.40) | TSHRKDM4EALDH1A1RECQLKMT2A | |
| SCHEMBL20038558 | 0.64 | KDM4E (0.43) | TSHRKDM4EALDH1A1MEN1POLB |
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 |