Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7460748 | 1.00 | ATM (0.47) | ATMMAPTKMT2ACES1KDM4E | |
| SCHEMBL8017837 | 0.79 | TSHR (0.48) | ATMMAPTKMT2ACES1KDM4E | |
| SCHEMBL8017835 | 0.79 | TSHR (0.48) | ATMMAPTKMT2ACES1KDM4E | |
| SCHEMBL25832200 | 0.77 | KDM4E (0.49) | MAPTKMT2AKDM4EMEN1SMN1; SMN2 | |
| SCHEMBL11377153 | 0.76 | ATM (0.52) | ATMMAPTKMT2ACES1KDM4E | |
| SCHEMBL13254457 | 0.76 | ATM (0.71) | ATMMAPTKMT2ACES1KDM4E | |
| SCHEMBL14087516 | 0.76 | ATM (0.71) | ATMMAPTKMT2ACES1KDM4E | |
| SCHEMBL12500555 | 0.72 | CTSL (0.53) | ATMMAPTCES1KDM4ESMN1; SMN2 | |
| SCHEMBL25408895 | 0.72 | CTSL (0.66) | ATMMAPTKMT2ASMN1; SMN2GAA | |
| SCHEMBL18193343 | 0.71 | ATM (0.47) | ATMMAPTSMN1; SMN2CYP3A4HPGD |
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-0947510-B1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AG (DE) | 2002-02-13 | — | — | EP | disclosed |
| EP-0947510-A1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-06 | — | — | EP | disclosed |