Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 3/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.34 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6994308 | 0.89 | CYP3A4 (0.32) | CYP3A4 | |
| SCHEMBL6993302 | 0.89 | ALOX5 (0.32) | — | |
| SCHEMBL7001710 | 0.87 | FFAR1 (0.32) | CYP3A4SLC6A2SLC6A4SLC6A3SMN1; SMN2 | |
| SCHEMBL7002397 | 0.87 | ALOX5 (0.31) | — | |
| SCHEMBL7002041 | 0.87 | CYP3A4 (0.39) | CYP3A4ALDH1A1 | |
| SCHEMBL8137237 | 0.87 | ALOX5 (0.35) | — | |
| SCHEMBL7000917 | 0.86 | AR (0.32) | ADRB2ADRB1KMT2ASMN1; SMN2 | |
| SCHEMBL6998556 | 0.85 | — | — | |
| SCHEMBL7001571 | 0.85 | GRM2 (0.34) | ADRB2ADRB1CYP3A4MEN1KMT2A | |
| SCHEMBL6994386 | 0.85 | ALOX5 (0.31) | — |
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-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | disclosed |