Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | HMGCR | P04035 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29415497 | 0.80 | ALDH1A1 (0.55) | CYP3A4HTR2AKDM4EALDH1A1CYP19A1 | |
| SCHEMBL942820 | 0.80 | ALDH1A1 (0.55) | CYP3A4HTR2AKDM4EALDH1A1CYP19A1 | |
| SCHEMBL13403399 | 0.80 | CYP3A4 (0.52) | CYP3A4HTR2AKDM4EALDH1A1CYP19A1 | |
| SCHEMBL29279533 | 0.78 | HTR2A (0.59) | HTR2ATAAR1 | |
| SCHEMBL774973 | 0.76 | HTR2A (0.52) | CYP3A4HTR2AHMGCRKDM4EALDH1A1 | |
| SCHEMBL21798818 | 0.74 | TAAR1 (0.45) | CYP3A4HTR2AKDM4EALDH1A1TDP1 | |
| SCHEMBL27923993 | 0.74 | CYP3A4 (0.46) | CYP3A4HTR2AKDM4EALDH1A1CYP19A1 | |
| SCHEMBL12845585 | 0.73 | TAAR1 (0.65) | CYP3A4HTR2AHMGCRKDM4EALDH1A1 | |
| SCHEMBL30600118 | 0.73 | TAAR1 (0.65) | CYP3A4HTR2AHMGCRKDM4EALDH1A1 | |
| SCHEMBL900127 | 0.71 | HTR2A (0.52) | CYP3A4HTR2AHMGCRKDM4EALDH1A1 |
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 |