Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABAT | P80404 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 2/20 | 0.38 |
| ▸ | KLK1 | P06870 | 2/20 | 0.38 |
| ▸ | KLK6 | Q92876 | 2/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | F11 | P03951 | 1/20 | 0.38 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7574539 | 0.84 | ESR1 (0.44) | ESR1ESR2 | |
| SCHEMBL19741070 | 0.83 | ABAT (0.43) | ABATHRH3NOS3NOS1NOS2 | |
| SCHEMBL18574328 | 0.83 | ESR1 (0.42) | ESR1ESR2KIF11 | |
| SCHEMBL27962752 | 0.83 | HRH3 (0.44) | ABATHRH3ESR1ESR2NOS3 | |
| SCHEMBL4825874 | 0.80 | ABAT (0.48) | ABATHRH3ESR1ESR2NOS3 | |
| SCHEMBL27940468 | 0.79 | LOXL2 (0.43) | ABATHRH3ESR1ESR2NOS3 | |
| SCHEMBL13930907 | 0.78 | ESR1 (0.52) | ABATHRH3ESR1ESR2NOS3 | |
| SCHEMBL13298065 | 0.78 | NPC1 (0.50) | ABATHRH3ESR1ESR2PSIP1 | |
| SCHEMBL10799993 | 0.78 | ESR1 (0.39) | HRH3ESR1ESR2 | |
| SCHEMBL28121057 | 0.78 | LMNA (0.50) | ESR1ESR2HDAC3HDAC6KIF11 |
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-107522634-B | Biaryl urea carboxylic acid derivative or salt thereof, and preparation method and application thereof | 复旦大学 | 2020-09-01 | — | — | CN | disclosed |