Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 11/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.49 |
| ▸ | HTR2C | P28335 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | HCK | P08631 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15978323 | 0.87 | HTR2A (0.40) | HTR2ATAAR1PIK3CDABL1EGFR | |
| SCHEMBL15980355 | 0.82 | HTR2A (0.39) | HTR2ATAAR1HTR2CPIK3CDABL1 | |
| SCHEMBL15980584 | 0.81 | HTR2A (0.40) | HTR2ATAAR1HTR2CTSHR | |
| SCHEMBL30148497 | 0.79 | HTR2A (0.74) | HTR2ATAAR1HTR2CHTR1AHTR2B | |
| SCHEMBL806720 | 0.76 | HTR2A (0.34) | HTR2ATAAR1HTR2C | |
| SCHEMBL806897 | 0.75 | CYP3A4 (0.38) | HTR2ATAAR1HTR2CCYP3A4 | |
| SCHEMBL15978310 | 0.75 | P2RX3 (0.35) | HTR2ATAAR1 | |
| SCHEMBL4379280 | 0.74 | MAPT (0.36) | HTR2ATAAR1HTR2CTSHRPIK3CD | |
| SCHEMBL21102072 | 0.73 | HTR2A (0.56) | HTR2ATAAR1HTR2CHTR1AHTR2B | |
| SCHEMBL15978366 | 0.73 | SMN1; SMN2 (0.40) | HTR2ATAAR1HTR2CTSHRPIK3CD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012037069-A2 | UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2012-03-22 | — | — | WO | disclosed |