Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8956924 | 0.88 | SLC1A5 (0.44) | ALDH1A1LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL8956867 | 0.81 | ALDH1A1 (0.50) | ALDH1A1LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL561339 | 0.80 | ALDH1A1 (0.61) | ALDH1A1LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL28261553 | 0.80 | ALDH1A1 (0.61) | ALDH1A1LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL8956875 | 0.79 | PDGFRB (0.41) | ALDH1A1LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL4955980 | 0.78 | ALDH1A1 (0.64) | ALDH1A1LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL14770230 | 0.78 | MAPT (0.59) | ALDH1A1LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL1960954 | 0.77 | CHRM1 (0.35) | ALDH1A1LMNATDP1MAPK1TSHR | |
| SCHEMBL8956880 | 0.77 | ALDH1A1 (0.46) | ALDH1A1LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL8956883 | 0.77 | ALDH1A1 (0.46) | ALDH1A1LMNAADRB2ADRB1ADRB3 |
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-2013178682-A2 | MULTICOMPONENT PROCESS FOR THE PREPARATION OF BICYCLIC COMPOUNDS | CHEMO IBÉRICA, S.A. (ES) | 2013-12-05 | — | — | WO | disclosed |