Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.33 |
| ▸ | NR1D2 | Q14995 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24672961 | 0.89 | ALDH1A1 (0.43) | ALDH1A1KDM4EPOLBSMN1; SMN2TSHR | |
| SCHEMBL29942565 | 0.81 | ALDH1A1 (0.42) | ALDH1A1KDM4EPOLBSMN1; SMN2TSHR | |
| SCHEMBL24672944 | 0.72 | LMNA (0.52) | ALDH1A1KDM4EPOLBSMN1; SMN2TSHR | |
| SCHEMBL24673213 | 0.72 | PGK1 (0.45) | ALDH1A1KDM4EPOLBSMN1; SMN2PKM | |
| SCHEMBL29942613 | 0.71 | GAA (0.57) | ALDH1A1KDM4ETSHRLMNAHTT | |
| SCHEMBL24672642 | 0.71 | LMNA (0.39) | ALDH1A1KDM4EPOLBSMN1; SMN2TSHR | |
| SCHEMBL29942557 | 0.71 | LMNA (0.50) | ALDH1A1KDM4EPOLBSMN1; SMN2TSHR | |
| SCHEMBL29942535 | 0.71 | LMNA (0.50) | ALDH1A1KDM4EPOLBSMN1; SMN2TSHR | |
| SCHEMBL24672659 | 0.70 | PGK1 (0.47) | ALDH1A1KDM4ETSHRALOX15 | |
| SCHEMBL24672649 | 0.70 | MPO (0.71) | ALDH1A1KDM4ETSHRLMNABACE1 |
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 |