Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL9651810 | 0.85 | TDP1 (0.37) | TDP1ESR1MEN1KMT2ACASP1 | |
| SCHEMBL11704259 | 0.83 | TDP1 (0.36) | TDP1ESR1MEN1KMT2ACASP1 | |
| SCHEMBL28458344 | 0.82 | MAPT (0.42) | KCNH2NPSR1NPC1RAB9AALDH1A1 | |
| SCHEMBL28906260 | 0.79 | NPC1 (0.42) | KCNH2NPC1JAK2RAB9APAX8 | |
| SCHEMBL10491083 | 0.79 | NPC1 (0.42) | KCNH2NPC1JAK2RAB9APAX8 | |
| SCHEMBL13503172 | 0.78 | TAAR1 (0.46) | TDP1ESR1MEN1KMT2ACASP1 | |
| SCHEMBL11576636 | 0.75 | NPC1 (0.41) | TDP1ESR1MEN1KMT2ACASP1 | |
| SCHEMBL1674606 | 0.75 | ESR1 (0.42) | TDP1ESR1MEN1KMT2ANPSR1 | |
| SCHEMBL13158975 | 0.74 | TDP1 (0.42) | TDP1ESR1MEN1KMT2ACASP1 | |
| SCHEMBL11325848 | 0.74 | SIGMAR1 (0.43) | TDP1ESR1MEN1KMT2AKCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113444031-B | Synthesis method of 2, 2-diaryl acetonitrile compound | 兰州大学 | 2023-03-03 | — | — | CN | disclosed |
| CN-113683550-A | Synthesis method of N- (cyano (2-cyano substituted phenyl) methyl) substituted tertiary amine | 兰州大学 | 2021-11-23 | — | — | CN | disclosed |
| CN-113444031-A | Synthetic method of 2, 2-diaryl acetonitrile compound | 兰州大学 | 2021-09-28 | — | — | CN | disclosed |