Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | HTR2A | P28223 | 5/20 | 0.51 |
| ▸ | HTR2B | P41595 | 2/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | TLR2 | O60603 | 1/20 | 0.49 |
| ▸ | ERN1 | O75460 | 1/20 | 0.49 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.49 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.49 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | HTR5A | P47898 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1337138 | 1.00 | CYP2A6 (0.58) | CYP2A6HTR2AHTR2BHTR6HTR2C | |
| SCHEMBL29950589 | 0.83 | CYP2A6 (0.54) | CYP2A6HTR2AIMPDH2ALDH1A1CYP1A2 | |
| SCHEMBL8799039 | 0.82 | CYP2A6 (0.50) | CYP2A6HTR2ATLR2ERN1TLR1 | |
| SCHEMBL28812840 | 0.81 | CYP2A6 (0.53) | CYP2A6TLR2ERN1TLR1TLR6 | |
| SCHEMBL17422040 | 0.80 | CYP2A6 (0.54) | CYP2A6HTR2ATLR2ERN1TLR1 | |
| SCHEMBL29956926 | 0.79 | ALDH1A1 (0.49) | CYP2A6TLR2ERN1TLR1TLR6 | |
| SCHEMBL3230533 | 0.79 | ALDH1A1 (0.49) | CYP2A6ERN1IMPDH2MTNR1AMTNR1B | |
| SCHEMBL29952879 | 0.79 | ALDH1A1 (0.49) | CYP2A6ERN1IMPDH2MTNR1AMTNR1B | |
| SCHEMBL29952428 | 0.78 | CYP2A6 (0.70) | CYP2A6ERN1IMPDH2ALDH1A1CYP1A2 | |
| SCHEMBL28167758 | 0.78 | HTR2A (0.60) | HTR2AHTR2BHTR6HTR2CMTNR1A |
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 |