Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | PTPN1 | P18031 | 9/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 4/20 | 0.60 |
| ▸ | MAOB | P27338 | 4/20 | 0.60 |
| ▸ | THRB | P10828 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL911098 | 1.00 | ALDH1A1 (0.68) | ALDH1A1PTPN1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29956322 | 0.87 | PTPN1 (0.61) | ALDH1A1PTPN1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14198050 | 0.83 | ALDH1A1 (0.68) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5363245 | 0.80 | PTPN1 (1.00) | ALDH1A1PTPN1PTPN2MAOAMAOB | |
| SCHEMBL12174817 | 0.80 | PTPN1 (0.67) | ALDH1A1PTPN1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23707495 | 0.80 | PTPN1 (0.67) | ALDH1A1PTPN1PTPN2MAOAMAOB | |
| SCHEMBL13978663 | 0.80 | PTPN1 (1.00) | PTPN1PTPN2MAOAMAOBLMNA | |
| SCHEMBL177572 | 0.80 | PTPN1 (1.00) | ALDH1A1PTPN1PTPN2MAOAMAOB | |
| SCHEMBL29951299 | 0.80 | PTPN1 (1.00) | PTPN1PTPN2MAOAMAOBLMNA | |
| SCHEMBL1572774 | 0.80 | MAOB (0.71) | ALDH1A1PTPN1PTPN2MAOAMAOB |
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 |