Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | SMO | Q99835 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8780493 | 0.76 | TLR8 (0.42) | KDRCYP2A6KMT2ASMOTLR8 | |
| SCHEMBL9654563 | 0.74 | PDE7A (0.49) | — | |
| SCHEMBL8780460 | 0.73 | CYP11B1 (0.40) | CYP2A6KMT2ALOXL2LMNAHTT | |
| SCHEMBL7836460 | 0.68 | GPR3 (0.42) | TLR8TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL7823735 | 0.68 | GPR3 (0.42) | KMT2ALMNATLR8TSHRSMN1; SMN2 | |
| SCHEMBL8780462 | 0.68 | TLR8 (0.41) | CYP2A6SMOTLR8TSHRSMN1; SMN2 | |
| SCHEMBL18554028 | 0.66 | TLR8 (0.38) | KDRCYP2A6LOXL2SMOALOX5AP | |
| SCHEMBL7850135 | 0.65 | MAPT (0.46) | LMNAHTTPOLBTSHRSMN1; SMN2 | |
| SCHEMBL8522499 | 0.65 | LMNA (0.45) | KMT2ALMNAHTTALOX5APUSP2 | |
| SCHEMBL8780501 | 0.63 | MEN1 (0.42) | KMT2ATLR8TSHRSMN1; SMN2NTRK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0498722-B1 | Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them | ROUSSEL UCLAF (FR) | 1997-07-30 | — | — | EP | disclosed |
| EP-0498722-A1 | Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them | ROUSSEL UCLAF (FR) | 1992-08-12 | — | — | EP | disclosed |