Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F12 | P00748 | 1/20 | 0.58 |
| ▸ | PLAU | P00749 | 1/20 | 0.58 |
| ▸ | NCF1 | P14598 | 1/20 | 0.58 |
| ▸ | NOS3 | P29474 | 1/20 | 0.58 |
| ▸ | NOS1 | P29475 | 1/20 | 0.58 |
| ▸ | NOS2 | P35228 | 1/20 | 0.58 |
| ▸ | BACE1 | P56817 | 1/20 | 0.58 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL49220 | 0.76 | PLAU (1.00) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL29377365 | 0.76 | PLAU (1.00) | F12PLAUNCF1NOS3NOS1 | |
| Iodide SCHEMBL29988059 | 0.75 | PLAU (0.95) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL28116864 | 0.75 | PLAU (0.95) | F12PLAUNCF1NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL509104 | 0.75 | PLAU (0.95) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL1597416 | 0.71 | AURKA (0.39) | CYP2A6ALDH1A1SMN1; SMN2POLBCYP1A2 | |
| Hydrochloric Acid SCHEMBL27774395 | 0.71 | F12 (0.66) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL1597996 | 0.70 | CYP2D6 (0.42) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL1598617 | 0.69 | BACE1 (0.37) | NCF1NOS2BACE1CYP2A6ALDH1A1 | |
| SCHEMBL21516024 | 0.68 | DDB1 (0.48) | F12PLAUNCF1NOS3NOS1 |
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-100448874-C | N-aroyl cyclic amines | SMITHKLINE BEECHAM PLC (GB) | 2009-01-07 | — | — | CN | disclosed |
| CN-1633433-A | N-aroyl cyclic amines | SMITHKLINE BEECHAM PLC (GB) | 2005-06-29 | — | — | CN | disclosed |