Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TLR2 | O60603 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.43 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10428522 | 0.81 | CA1 (0.48) | ALDH1A1TP53ESR1CA12CA1 | |
| SCHEMBL24317924 | 0.80 | SMN1; SMN2 (0.46) | MAPTALDH1A1KDM4EMAPK1ESR1 | |
| SCHEMBL7000187 | 0.80 | SMN1; SMN2 (0.46) | MAPTALDH1A1KDM4EMAPK1ESR1 | |
| Syringol SCHEMBL28205791 | 0.77 | ALDH1A1 (0.59) | MAPTALDH1A1TP53KDM4ELMNA | |
| Formaldehyde SCHEMBL27601449 | 0.76 | KDM4E (0.53) | MAPTALDH1A1TP53KDM4ELMNA | |
| Syringol SCHEMBL20564590 | 0.76 | KDM4E (0.70) | MAPTALDH1A1TP53KDM4ELMNA | |
| SCHEMBL24315696 | 0.75 | CA12 (0.44) | MAPTALDH1A1TP53KDM4ELMNA | |
| Syringol SCHEMBL156388 | 0.73 | KDM4E (0.80) | MAPTALDH1A1TP53KDM4ELMNA | |
| Syringol SCHEMBL7610366 | 0.71 | KDM4E (0.76) | MAPTALDH1A1TP53KDM4ELMNA | |
| Syringol SCHEMBL6049240 | 0.71 | KDM4E (0.76) | MAPTALDH1A1TP53KDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3904331-A1 | NANOPARTICLE, CONTRAST AGENT FOR MAGNETIC RESONANCE IMAGING COMPRISING SAME AND ZWITTERIONIC LIGAND COMPOUND | Astellas Pharma Inc. (JP) | 2021-11-03 | — | — | EP | disclosed |