Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25833427 | 0.82 | AOC3 (0.49) | PIK3CDAOC3HPGDSLC6A2SLC6A4 | |
| SCHEMBL25852918 | 0.81 | PIK3CD (0.44) | PIK3CDAOC3ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL8096616 | 0.80 | AOC3 (0.58) | AOC3HTR2AHRH1TAAR1TDP1 | |
| SCHEMBL18471695 | 0.80 | AOC3 (0.58) | AOC3HTR2AHRH1SIGMAR1TAAR1 | |
| SCHEMBL14820159 | 0.79 | AOC3 (0.61) | AOC3HTR2AHRH1TAAR1TDP1 | |
| SCHEMBL17615824 | 0.78 | KDM4C (0.47) | TSHRKCNH2KDM4C | |
| SCHEMBL17602185 | 0.77 | KDM4C (0.48) | PIK3CDALDH1A1HPGDHTTMEN1 | |
| SCHEMBL8084280 | 0.77 | SIGMAR1 (0.57) | AOC3SLC6A2SLC6A4SLC6A3SIGMAR1 | |
| SCHEMBL7790878 | 0.77 | AOC3 (0.55) | AOC3HTR2AHRH1HTTKCNH2 | |
| SCHEMBL13302844 | 0.76 | SIGMAR1 (0.69) | SLC6A2SLC6A4SLC6A3HTR2AHRH1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012158413-A2 | PYRROLIDINYL UREA AND PYRROLIDINYL THIOUREA COMPOUNDS AS TRKA KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2012-11-22 | — | — | WO | disclosed |