Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTR1D | P28221 | 6/20 | 0.39 |
| ▸ | HTR1B | P28222 | 5/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.35 |
| ▸ | TUBB | P07437 | 2/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17429436 | 0.83 | ALDH1A1 (0.49) | CYP2A6ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL29952879 | 0.83 | ALDH1A1 (0.49) | CYP2A6ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL3230533 | 0.83 | ALDH1A1 (0.49) | CYP2A6ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL29957270 | 0.81 | ALDH1A1 (0.48) | CYP2A6ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL29951455 | 0.81 | ALDH1A1 (0.48) | CYP2A6ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL31385944 | 0.79 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL29957228 | 0.78 | CYP2A6 (0.51) | CYP2A6ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL6496739 | 0.77 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP1A2CYP2C19KDM4E | |
| SCHEMBL29955572 | 0.76 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP1A2CYP2C19HTR1D | |
| SCHEMBL29956880 | 0.76 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP1A2CYP2C19HTR1D |
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 |