Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | HBB | P68871 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL324210 | 1.00 | ALDH1A1 (0.35) | ALDH1A1MAPK1SIGMAR1PYCR1NPSR1 | |
| Hydrochloric Acid SCHEMBL11711448 | 0.98 | ALDH1A1 (0.33) | ALDH1A1MAPK1SIGMAR1PYCR1NPSR1 | |
| SCHEMBL12126083 | 0.82 | ALDH1A1 (0.35) | ALDH1A1MAPK1RAPGEF4ALOX15CYP2A6 | |
| SCHEMBL8147369 | 0.78 | CYP2A6 (0.42) | ALDH1A1MAPTMEN1KMT2ACYP2A6 | |
| SCHEMBL8150148 | 0.78 | CYP2A6 (0.42) | ALDH1A1MAPTMEN1KMT2ACYP2A6 | |
| SCHEMBL8499168 | 0.77 | ALDH1A1 (0.35) | ALDH1A1MAPK1SIGMAR1PYCR1NPSR1 | |
| SCHEMBL985929 | 0.76 | TDP1 (0.42) | ALDH1A1NPSR1RAPGEF4ALOX15MEN1 | |
| SCHEMBL29839690 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CA1CA2 | |
| SCHEMBL8600425 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CA1CA2 | |
| SCHEMBL29953658 | 0.76 | TDP1 (0.42) | ALDH1A1NPSR1RAPGEF4ALOX15MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |