Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.70 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.57 |
| ▸ | PIM1 | P11309 | 2/20 | 0.43 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
| ▸ | HTR1D | P28221 | 2/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL248842 | 0.84 | CYP2A6 (0.66) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL29408411 | 0.84 | CYP2A6 (0.66) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL9023392 | 0.83 | CYP2A6 (0.55) | CYP2A6IMPDH2KMT2AMEN1LMNA | |
| SCHEMBL20441030 | 0.83 | CYP2A6 (0.55) | CYP2A6IMPDH2KMT2AMEN1LMNA | |
| SCHEMBL9023395 | 0.83 | CYP2A6 (0.55) | CYP2A6IMPDH2KMT2AMEN1LMNA | |
| SCHEMBL7327866 | 0.82 | CYP2A6 (0.54) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL6863442 | 0.82 | CYP2A6 (0.64) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL1337252 | 0.82 | CYP2A6 (0.64) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL15672105 | 0.82 | CYP2A6 (0.54) | CYP2A6IMPDH2PIM1PIM3PIM2 | |
| SCHEMBL1092485 | 0.82 | CYP2A6 (0.64) | CYP2A6IMPDH2PIM1PIM3PIM2 |
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 |