Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12367170 | 1.00 | ALDH1A1 (0.61) | ALDH1A1SIGMAR1SLC6A4SLC6A3POLB | |
| SCHEMBL1189519 | 0.98 | ALDH1A1 (0.63) | ALDH1A1SIGMAR1SLC6A4SLC6A3POLB | |
| Hydrochloric Acid SCHEMBL1763146 | 0.97 | ALDH1A1 (0.61) | ALDH1A1SIGMAR1SLC6A4SLC6A3POLB | |
| SCHEMBL6023614 | 0.89 | RAB9A (0.55) | ALDH1A1POLBCYP3A4CYP2D6MAPT | |
| SCHEMBL4875267 | 0.85 | ALDH1A1 (0.79) | ALDH1A1SLC6A4SLC6A3POLBCYP3A4 | |
| SCHEMBL11395399 | 0.84 | KDM5C (0.51) | ALDH1A1SIGMAR1CYP2D6MAPTHSD17B10 | |
| SCHEMBL9381303 | 0.82 | ALDH1A1 (0.69) | ALDH1A1SLC6A4SLC6A3POLBCYP3A4 | |
| SCHEMBL6035088 | 0.81 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CYP2D6MAPTMAPK1 | |
| SCHEMBL20421677 | 0.81 | MEN1 (0.47) | ALDH1A1POLBCYP3A4CYP2D6MAPT | |
| SCHEMBL2616165 | 0.81 | MEN1 (0.69) | ALDH1A1CYP2D6USP2KDRKMT2A |
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 |