Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15978281 | 0.94 | IMPDH2 (0.32) | KDM4EIMPDH2MAPK1L3MBTL1LMNA | |
| SCHEMBL806720 | 0.86 | HTR2A (0.34) | MAPTIMPDH2 | |
| SCHEMBL806744 | 0.85 | KDM4E (0.38) | KDM4ECYP3A4ALOX15MAPTTHRB | |
| SCHEMBL806903 | 0.80 | BACE1 (0.42) | MAPTPTPN1ALOX5MAPK1LMNA | |
| SCHEMBL15978362 | 0.75 | APP (0.42) | MAPTPTPN1MAPK1LMNAHTR1A | |
| SCHEMBL806897 | 0.73 | CYP3A4 (0.38) | KDM4ECYP3A4ALOX15MAPTTHRB | |
| SCHEMBL806745 | 0.70 | IMPDH2 (0.34) | MAPTIMPDH2LMNATSHR | |
| SCHEMBL28796199 | 0.68 | PTPN1 (0.40) | KDM4ECYP3A4ALOX15MAPTGABRA1 | |
| SCHEMBL15978363 | 0.68 | CNR2 (0.34) | KDM4ECYP3A4ALOX15MAPTTHRB | |
| SCHEMBL28045599 | 0.67 | MAPT (0.48) | KDM4ECYP3A4ALOX15MAPTTHRB |
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 |