Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | TUBB1 | Q9H4B7 | 4/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.48 |
| ▸ | TUBB | P07437 | 3/20 | 0.48 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.48 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.48 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.48 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.48 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.48 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.48 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.48 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.48 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.48 |
| ▸ | TUBA1C | Q9BQE3 | 3/20 | 0.48 |
| ▸ | TUBB6 | Q9BUF5 | 3/20 | 0.48 |
| ▸ | TUBB2B | Q9BVA1 | 3/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL724406 | 0.83 | PTGS2 (0.59) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL68542 | 0.81 | ALDH1A1 (0.63) | PTGS2HTR2AHTR2CHTR2BCYP3A4 | |
| SCHEMBL10532117 | 0.81 | PTGS2 (0.57) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL31005006 | 0.79 | ALDH1A1 (0.61) | PTGS2HTR2AHTR2CHTR2BCYP3A4 | |
| Fluoride SCHEMBL28006168 | 0.79 | ALDH1A1 (0.61) | PTGS2HTR2AHTR2CHTR2BCYP3A4 | |
| SCHEMBL29022512 | 0.78 | ALDH1A1 (0.38) | PTGS2CYP3A4MAPTKDM4E | |
| SCHEMBL28966800 | 0.78 | PTGS2 (0.53) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL29620388 | 0.78 | PTGS2 (0.53) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL3149983 | 0.77 | PTGS2 (0.64) | PTGS2HTR2AHTR2CHTR2BTUBB1 | |
| SCHEMBL15265592 | 0.77 | ALDH1A1 (0.69) | AOC3CYP19A1CYP3A4MAPTKDM4E |
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 |