Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.64 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.53 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 2/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 2/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1337252 | 1.00 | CYP2A6 (0.64) | CYP2A6GPR84IMPDH2NR4A2MEN1 | |
| SCHEMBL29951403 | 0.85 | CYP2A6 (0.54) | CYP2A6GPR84IMPDH2NR4A2MEN1 | |
| SCHEMBL7327866 | 0.85 | CYP2A6 (0.54) | CYP2A6GPR84IMPDH2NR4A2MEN1 | |
| SCHEMBL29952428 | 0.82 | CYP2A6 (0.70) | CYP2A6IMPDH2MEN1ALDH1A1KMT2A | |
| SCHEMBL29408411 | 0.79 | CYP2A6 (0.66) | CYP2A6IMPDH2ALDH1A1KMT2APIM1 | |
| SCHEMBL248842 | 0.79 | CYP2A6 (0.66) | CYP2A6IMPDH2ALDH1A1KMT2APIM1 | |
| SCHEMBL31447964 | 0.78 | NR4A2 (0.49) | CYP2A6GPR84NR4A2MEN1ALDH1A1 | |
| SCHEMBL7074768 | 0.78 | GPR17 (0.46) | CYP2A6IMPDH2MEN1ALDH1A1KMT2A | |
| SCHEMBL6863442 | 0.78 | CYP2A6 (0.64) | CYP2A6IMPDH2ALDH1A1PIM1PIM3 | |
| SCHEMBL644301 | 0.78 | CYP2A6 (1.00) | CYP2A6IMPDH2SLC6A4PIM1PIM3 |
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 |