Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PPP5C | P53041 | 2/20 | 0.31 |
| ▸ | PPP2CA | P67775 | 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 | |
|---|---|---|---|---|
| SCHEMBL1562085 | 0.84 | CHRNB2 (0.38) | HSD11B1EPHX2MCHR1 | |
| SCHEMBL1562092 | 0.84 | MAPT (0.44) | VNN1CYP1A2MAPTTSHR | |
| SCHEMBL18389969 | 0.80 | HTR1A (0.50) | HTR1AHSD11B1VNN1CYP1A2TDP1 | |
| SCHEMBL25568891 | 0.79 | HTR1A (0.48) | HTR1AHSD11B1VNN1CYP1A2TDP1 | |
| SCHEMBL1561215 | 0.76 | LMNA (0.49) | HTR1AHSD11B1VNN1CYP1A2TDP1 | |
| SCHEMBL1561751 | 0.73 | — | — | |
| SCHEMBL1561145 | 0.73 | HTR1A (0.43) | HTR1AHSD11B1VNN1CYP1A2TDP1 | |
| SCHEMBL19012442 | 0.73 | MAPT (0.45) | HTR1AHSD11B1VNN1CYP1A2TDP1 | |
| SCHEMBL1561358 | 0.72 | — | — | |
| SCHEMBL24371412 | 0.71 | VNN1 (0.50) | HTR1AVNN1CYP1A2TDP1MCHR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2091925-B1 | BICYCLIC HETEROCYCLES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION OF SAME | BOEHRINGER INGELHEIM INT (DE) | 2011-04-06 | — | — | EP | claimed |