Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | CDK9 | P50750 | 1/20 | 0.43 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 4/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR1E | P28566 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6642614 | 0.88 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL15330072 | 0.83 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL2531595 | 0.81 | CYP2A6 (0.61) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL15330695 | 0.80 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL3459734 | 0.80 | CYP2A6 (0.61) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL2535403 | 0.80 | PIM1 (0.53) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL29955102 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL15330831 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL29954562 | 0.79 | CCNT1 (0.58) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 | |
| SCHEMBL29952539 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2C19CYP2A6IMPDH2 |
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 |