Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.46 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.46 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.43 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4695639 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KDM4ETSHRLMNAGAA | |
| SCHEMBL29957724 | 0.87 | KDM4E (0.43) | ALDH1A1KDM4ETSHRLMNAGAA | |
| SCHEMBL14753645 | 0.83 | LIPG (0.47) | ALDH1A1KDM4ETSHRPYCR1BCHE | |
| SCHEMBL29954523 | 0.83 | CHRNB2 (0.58) | ALDH1A1KDM4ELMNAGAA | |
| SCHEMBL1839968 | 0.81 | CYP2D6 (0.49) | ALDH1A1KDM4ETSHRLMNAGAA | |
| SCHEMBL26085711 | 0.80 | CYP2D6 (0.39) | ALDH1A1KDM4ETSHRLMNAGAA | |
| SCHEMBL26085709 | 0.80 | TRPA1 (0.48) | ALDH1A1KDM4ETSHRPOLBBCHE | |
| SCHEMBL4537 | 0.79 | LIPG (0.50) | ALDH1A1KDM4ETSHRLMNAGAA | |
| SCHEMBL29504654 | 0.79 | LIPG (0.50) | ALDH1A1KDM4ETSHRLMNAGAA | |
| SCHEMBL20362787 | 0.78 | CYP2D6 (0.74) | ALDH1A1KDM4ETSHRLMNASMN1; 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 |