Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SRC | P12931 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2059899 | 0.80 | MAOB (0.38) | MEN1HTTKMT2ASLC6A2SLC6A4 | |
| SCHEMBL28648701 | 0.80 | ALDH1A1 (0.46) | SLC6A2SLC6A4SRCTSHRALDH1A1 | |
| SCHEMBL28458232 | 0.78 | GAA (0.38) | SLC6A2SLC6A4SRCALDH1A1POLB | |
| SCHEMBL28650477 | 0.78 | PYCR1 (0.33) | MEN1KMT2ASRCMAOBALDH1A1 | |
| SCHEMBL28636212 | 0.78 | APP (0.39) | MEN1HTTKMT2ASLC6A2SLC6A4 | |
| SCHEMBL29180071 | 0.76 | TSHR (0.44) | MEN1HTTKMT2ATSHRTRPA1 | |
| SCHEMBL28471408 | 0.75 | SLC2A1 (0.47) | SLC6A2SLC6A4TSHRNPC1ALDH1A1 | |
| SCHEMBL10964311 | 0.74 | SLC6A2 (0.33) | MEN1HTTKMT2ASLC6A2SLC6A4 | |
| SCHEMBL4689599 | 0.74 | LMNA (0.38) | MEN1HTTKMT2ASLC6A2SLC6A4 | |
| SCHEMBL4692790 | 0.73 | CYP2D6 (0.36) | MEN1KMT2ASLC6A2SLC6A4MAOB |
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 |