Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.30 |
| ▸ | F11 | P03951 | 1/20 | 0.30 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29177252 | 0.83 | KMT2A (0.36) | KMT2AS1PR3 | |
| SCHEMBL28586926 | 0.83 | CYP2D6 (0.33) | NOS2CYP2D6SLC6A2SLC6A4F11 | |
| SCHEMBL28603822 | 0.78 | VCAM1 (0.37) | KMT2AF11KLKB1 | |
| SCHEMBL21996464 | 0.75 | KHK (0.38) | NOS2CYP2D6SLC6A2SLC6A4TRPV4 | |
| SCHEMBL29177363 | 0.75 | BACE1 (0.33) | KMT2A | |
| SCHEMBL3532342 | 0.74 | CYP2D6 (0.40) | NOS2CYP2D6SLC6A2SLC6A4CYP11B2 | |
| SCHEMBL28246635 | 0.74 | FFAR1 (0.49) | CYP11B2KMT2ASLC22A12 | |
| SCHEMBL21996274 | 0.73 | KMT2A (0.39) | NOS2CYP2D6SLC6A2SLC6A4KMT2A | |
| SCHEMBL24196446 | 0.72 | NOS2 (0.40) | NOS2CYP2D6SLC6A2SLC6A4CYP11B2 | |
| SCHEMBL28738823 | 0.72 | ALDH1A1 (0.46) | — |
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-113329791-A | 9-substituted amino-triazoloquinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and uses thereof | 默沙东公司 | 2021-08-31 | — | — | CN | disclosed |