Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.33 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1918390 | 0.78 | HTR1A (0.41) | ALDH1A1NPSR1HTR1ASLC6A4HTT | |
| SCHEMBL900045 | 0.78 | SCN9A (0.42) | ALDH1A1KMT2ASLC6A4KCNH2POLB | |
| SCHEMBL29402339 | 0.76 | TSHR (0.43) | ALDH1A1NPSR1KCNJ5KCNJ3ADRA2A | |
| SCHEMBL22366611 | 0.76 | TSHR (0.43) | ALDH1A1NPSR1KCNJ5KCNJ3ADRA2A | |
| SCHEMBL900180 | 0.76 | KDM4E (0.44) | ALDH1A1NPSR1KMT2AADRA2AADRA2B | |
| SCHEMBL24398990 | 0.73 | CYP1A2 (0.40) | ALDH1A1NPSR1ADRA2AADRA2BADRA2C | |
| SCHEMBL27684048 | 0.73 | KCNJ5 (0.37) | ALDH1A1KCNJ5KCNJ3KMT2ASLC6A4 | |
| SCHEMBL1307407 | 0.72 | KDM4E (0.39) | ALDH1A1KMT2ACYP1A2CYP2A6MAPT | |
| SCHEMBL900289 | 0.72 | ALDH1A1 (0.42) | ALDH1A1NPSR1KMT2AADRA1AMEN1 | |
| SCHEMBL16957701 | 0.72 | GRIA1 (0.33) | NPSR1KMT2ACYP1A2CYP2A6MEN1 |
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-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 |