Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL5603693 | 0.73 | GRM5 (0.33) | ALDH1A1GAAKDM4E | |
| SCHEMBL1079897 | 0.71 | GABRA1 (0.42) | GABRA1GABRB2L3MBTL1ADRA2AADRA2B | |
| SCHEMBL7608071 | 0.70 | GABRA1 (0.49) | GABRA1GABRB2L3MBTL1ADRA2AADRA2B | |
| SCHEMBL5600974 | 0.69 | CNR2 (0.35) | ALDH1A1 | |
| SCHEMBL5824091 | 0.67 | GABRA1 (0.58) | GABRA1GABRB2L3MBTL1ADRA2AADRA2B | |
| SCHEMBL173300 | 0.66 | GABRA1 (0.56) | GABRA1GABRB2L3MBTL1ADRA2AADRA2B | |
| SCHEMBL29763626 | 0.66 | GABRA1 (0.56) | GABRA1GABRB2L3MBTL1ADRA2AADRA2B | |
| SCHEMBL10797073 | 0.66 | GABRA1 (0.52) | GABRA1GABRB2L3MBTL1ADRA2AADRA2B | |
| SCHEMBL31619949 | 0.65 | GABRA1 (0.56) | GABRA1GABRB2L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL18136 | 0.65 | GABRA1 (0.56) | GABRA1GABRB2L3MBTL1ADRA2AADRA2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0408509-B1 | Substituted benzonitriles | CIBA GEIGY AG (CH) | 1996-03-06 | — | — | EP | claimed |
| EP-2448926-A1 | FLAVIN DERIVATIVES | Biorelix, Inc. (US) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011008247-A1 | FLAVIN DERIVATIVES | BIORELIX, INC. (US) | 2011-01-20 | — | — | WO | disclosed |
| US-5073574-A | TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF | CIBA-GEIGY CORPORATION (US) | 1991-12-17 | — | — | US | disclosed |