Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 2/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGFR | P43088 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7371424 | 0.85 | GABRA1 (0.43) | DAOPDE10AALOX5ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL8388746 | 0.77 | CYP1A2 (0.46) | CYP1A2DAOTBXA2RPTGER4PTGFR | |
| SCHEMBL8957153 | 0.74 | MMP2 (0.44) | DAO | |
| SCHEMBL6799179 | 0.66 | ITGA4 (0.51) | CYP1A2TBXA2RPTGER4PTGFRPTGER3 | |
| SCHEMBL4058306 | 0.65 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL6443298 | 0.65 | SLC1A3 (0.55) | CYP1A2SLC1A3SLC1A2SLC1A1ALOX5 | |
| SCHEMBL27582729 | 0.64 | TAAR1 (0.64) | CYP1A2ADORA2AADORA1 | |
| SCHEMBL2838141 | 0.64 | CYP1A2 (0.65) | CYP1A2ALOX5 | |
| SCHEMBL11339878 | 0.64 | HRH4 (0.38) | DAO | |
| SCHEMBL6238367 | 0.64 | NR1H4 (0.63) | CYP1A2TBXA2RPTGER4PTGFRPTGER3 |
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-1073638-A1 | HETEROCYCLICALLY SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999054304-A1 | HETEROCYCLICALLY SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-28 | — | — | WO | disclosed |