Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | EYA2 | O00167 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | ACE | P12821 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2561646 | 0.88 | TDP1 (0.38) | ALDH1A1TDP1TSHRALOX15CYP2C19 | |
| SCHEMBL29953207 | 0.88 | KDM5A (0.33) | ALDH1A1TDP1NPSR1HTTEPHX2 | |
| SCHEMBL29954500 | 0.80 | KMT2A (0.36) | ALDH1A1NPSR1KDM4ELMNA | |
| SCHEMBL4937559 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TDP1NPSR1EPHX2POLB | |
| SCHEMBL4937544 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TDP1NPSR1EPHX2POLB | |
| SCHEMBL2562216 | 0.79 | NPSR1 (0.35) | ALDH1A1NPSR1 | |
| Hydrochloric Acid SCHEMBL4936590 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TDP1NPSR1EPHX2POLB | |
| Hydrochloric Acid SCHEMBL4936603 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TDP1NPSR1EPHX2POLB | |
| SCHEMBL13932943 | 0.73 | CYP2C9 (0.45) | ALDH1A1TDP1NPSR1EPHX2SMN1; SMN2 | |
| SCHEMBL15996559 | 0.73 | CYP2C9 (0.45) | ALDH1A1TDP1NPSR1EPHX2SMN1; SMN2 |
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 |