Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | SOS1 | Q07889 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24672943 | 0.87 | SOS1 (0.46) | THRBSOS1LMNAPKMHTT | |
| SCHEMBL29942348 | 0.79 | THRB (0.46) | THRBSOS1LMNAPKMHTT | |
| SCHEMBL29942574 | 0.77 | SOS1 (0.45) | THRBSOS1LMNAPKMHTT | |
| SCHEMBL24672944 | 0.73 | LMNA (0.52) | THRBLMNAPKMHTTALDH1A1 | |
| SCHEMBL6231104 | 0.70 | ACHE (0.73) | LMNAALDH1A1KDM4EPOLBSMN1; SMN2 | |
| SCHEMBL22425608 | 0.70 | LMNA (0.61) | THRBLMNAPKMHTTALDH1A1 | |
| SCHEMBL29942934 | 0.70 | THRB (0.52) | THRBLMNAPKMHTTALDH1A1 | |
| SCHEMBL22773553 | 0.70 | CTSB (0.71) | THRBLMNAALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL8718685 | 0.69 | CTSB (0.70) | LMNAALDH1A1KDM4ESMN1; SMN2CTSB | |
| SCHEMBL4243158 | 0.69 | HSD17B10 (0.55) | LMNAALDH1A1KDM4EPOLBBACE1 |
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 |