Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 3/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18938483 | 0.89 | CTSL (0.38) | MAOBCES2CES1ALDH1A1GAA | |
| SCHEMBL18938346 | 0.88 | CES2 (0.43) | MAOBCES2CES1KMT2AMEN1 | |
| SCHEMBL18938855 | 0.88 | MEN1 (0.41) | ALDH1A1GAAAKT1KMT2ANPC1 | |
| SCHEMBL18938805 | 0.84 | PKM (0.43) | CES2CES1ALDH1A1GAAKMT2A | |
| SCHEMBL18938353 | 0.81 | PBRM1 (0.43) | CES2CES1GAAKMT2ARAB9A | |
| SCHEMBL18938351 | 0.81 | PBRM1 (0.43) | CES2CES1GAAKMT2ARAB9A | |
| SCHEMBL18938852 | 0.74 | MEN1 (0.44) | CES2CES1GAAKMT2ANPC1 | |
| SCHEMBL18938493 | 0.74 | GRIN2B (0.43) | CES2CES1ALDH1A1GAANPC1 | |
| SCHEMBL9003690 | 0.73 | CES2 (0.52) | CES2CES1KMT2AMEN1HTT | |
| SCHEMBL31384796 | 0.73 | CES2 (0.52) | CES2CES1KMT2AMEN1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017093263-A1 | PROCESS FOR PREPARING FUNCTIONALIZED 1,2,4,5-TETRAZINE COMPOUNDS | UNIVERSITE DE BOURGOGNE (FR) | 2017-06-08 | — | — | WO | disclosed |