Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | BCDIN3D | Q7Z5W3 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3756416 | 0.81 | IDO1 (0.52) | ALDH1A1PNMTMAPTIDO1SLC6A4 | |
| SCHEMBL12107538 | 0.76 | CYP3A4 (0.54) | CYP3A4ALDH1A1NPSR1KDM1APNMT | |
| SCHEMBL8257731 | 0.76 | DAO (0.41) | ALDH1A1DHFRSLC6A4 | |
| SCHEMBL925505 | 0.76 | HPGD (0.35) | ALDH1A1KDM4EMAPTGAADHFR | |
| SCHEMBL29952853 | 0.76 | PIK3CA (0.41) | CYP3A4ALDH1A1NPSR1PNMTKDM4E | |
| SCHEMBL12170298 | 0.76 | KMT2A (0.51) | ALDH1A1NPSR1KDM1AMAPTGAA | |
| SCHEMBL30031076 | 0.74 | CYP3A4 (0.48) | CYP3A4ALDH1A1NPSR1KDM1APNMT | |
| SCHEMBL4026046 | 0.74 | CYP3A4 (0.48) | CYP3A4ALDH1A1NPSR1KDM1APNMT | |
| SCHEMBL1755262 | 0.74 | MAPT (0.49) | CYP3A4ALDH1A1NPSR1KDM1AKDM4E | |
| SCHEMBL6126069 | 0.73 | PNMT (0.50) | CYP3A4ALDH1A1NPSR1KDM1APNMT |
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 |