Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20573182 | 0.85 | AOC3 (0.51) | AOC3SMN1; SMN2POLBCYP1A2CHRM2 | |
| SCHEMBL11567490 | 0.82 | SMN1; SMN2 (0.47) | SMN1; SMN2POLBCYP1A2KDM4ETSHR | |
| SCHEMBL7151009 | 0.82 | AOC3 (0.49) | AOC3SMN1; SMN2POLBCYP1A2CHRM2 | |
| SCHEMBL775238 | 0.79 | AOC3 (0.53) | AOC3SMN1; SMN2POLBCYP1A2CHRM2 | |
| SCHEMBL900854 | 0.79 | SMN1; SMN2 (0.38) | AOC3SMN1; SMN2POLBCYP1A2KDM4E | |
| SCHEMBL8910900 | 0.79 | AOC3 (0.56) | AOC3SMN1; SMN2POLBCYP1A2CHRM2 | |
| SCHEMBL746937 | 0.78 | AOC3 (0.45) | AOC3SMN1; SMN2POLBCYP1A2CHRM2 | |
| SCHEMBL30883 | 0.77 | AOC3 (0.55) | AOC3SMN1; SMN2POLBCYP1A2CHRM2 | |
| SCHEMBL27943252 | 0.77 | AOC3 (0.44) | AOC3SMN1; SMN2POLBCYP1A2CHRM2 | |
| SCHEMBL28108216 | 0.75 | AOC3 (0.43) | AOC3SMN1; SMN2POLBCYP1A2CHRM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2621922-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041858-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2012-04-05 | — | — | WO | disclosed |
| CN-1809564-A | Pyrrolodihydroisoquinolines useful as PDE10 inhibitors | ALTANA PHARMA AG (DE) | 2006-07-26 | — | — | CN | disclosed |