Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 5/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 2/20 | 0.36 |
| ▸ | F12 | P00748 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21182263 | 0.87 | CYP2A6 (0.44) | RAB9ACNR2CYP2A6TSHRCYP3A4 | |
| SCHEMBL29094377 | 0.85 | RAB9A (0.44) | RAB9ACNR2CYP2A6TSHRCYP3A4 | |
| SCHEMBL29094378 | 0.83 | RAB9A (0.49) | RAB9ACNR2CYP2A6TSHRCYP3A4 | |
| SCHEMBL18453504 | 0.82 | CYP2A6 (0.46) | RAB9ACNR2CYP2A6TSHRCYP3A4 | |
| SCHEMBL29094375 | 0.80 | RAB9A (0.42) | RAB9ACNR2TSHRMEN1TP53 | |
| SCHEMBL29094384 | 0.78 | RAB9A (0.40) | RAB9ACNR2TSHRMEN1TP53 | |
| SCHEMBL29094382 | 0.76 | RAB9A (0.39) | RAB9ATSHRCYP2C19MEN1TP53 | |
| SCHEMBL18950546 | 0.72 | CYP2A6 (0.44) | RAB9ACNR2CYP2A6TSHRCYP3A4 | |
| SCHEMBL3297650 | 0.71 | CNR2 (0.52) | RAB9ACNR2CYP2A6TSHRCYP3A4 | |
| SCHEMBL19134389 | 0.71 | CYP2A6 (0.47) | RAB9ACNR2CYP2A6TSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116730915-A | Method for asymmetric catalytic synthesis of allyl chiral aza-arene derivative by using visible light and application of allyl chiral aza-arene derivative | 河南工业大学 | 2023-09-12 | — | — | CN | disclosed |