Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 3/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13838782 | 0.86 | ALDH1A1 (0.40) | TP53PARP3CASP3SENP7NPC1 | |
| SCHEMBL13838772 | 0.84 | LMNA (0.42) | TP53PARP3CASP3SENP7NPC1 | |
| SCHEMBL29843504 | 0.84 | LMNA (0.42) | TP53PARP3CASP3SENP7NPC1 | |
| SCHEMBL17763509 | 0.82 | PARP3 (0.41) | TP53PARP3CASP3SENP7NPC1 | |
| SCHEMBL17821460 | 0.81 | GAA (0.40) | TP53PARP3CASP3SENP7NPC1 | |
| SCHEMBL15613347 | 0.79 | PARP3 (0.38) | TP53PARP3CASP3SENP7NPC1 | |
| SCHEMBL28131468 | 0.79 | TP53 (0.40) | TP53PARP3CASP3SENP7NPC1 | |
| SCHEMBL28266030 | 0.75 | PARP3 (0.44) | TP53PARP3CASP3SENP7NPC1 | |
| SCHEMBL25433686 | 0.71 | DAGLA (0.41) | TP53POLBTDP1LMNAGAA | |
| SCHEMBL17763504 | 0.71 | KCNH2 (0.55) | TP53LMNAKMT2AANO1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106478537-B | A kind of preparation method of [2- [(the chloro- benzoxazoles -2- base of 5-) (3- oxo butyl) amino] ethyl] t-butyl carbamate | 上海再启生物技术有限公司 | 2019-01-15 | — | — | CN | disclosed |
| EP-3021851-A2 | PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT | Dr. Reddy's Laboratories Ltd. (IN) | 2016-05-25 | — | — | EP | disclosed |