Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.43 |
| ▸ | CCR8 | P51685 | 2/20 | 0.43 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | F2R | P25116 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23174772 | 1.00 | CCR1 (0.43) | CCR1CCR5CCR8UHRF1KDM4E | |
| SCHEMBL23174773 | 1.00 | CCR1 (0.43) | CCR1CCR5CCR8UHRF1KDM4E | |
| SCHEMBL29796494 | 1.00 | CCR1 (0.43) | CCR1CCR5CCR8UHRF1KDM4E | |
| SCHEMBL23174775 | 1.00 | CCR1 (0.43) | CCR1CCR5CCR8UHRF1KDM4E | |
| SCHEMBL23917887 | 0.78 | UHRF1 (0.48) | CCR1CCR5CCR8UHRF1KDM4E | |
| SCHEMBL22637043 | 0.75 | CLK4 (0.34) | MEN1KMT2AALDH1A1NPC1RAB9A | |
| SCHEMBL4082404 | 0.74 | NPC1 (0.62) | KDM4EMEN1KMT2ANPC1RAB9A | |
| SCHEMBL4082402 | 0.74 | NPC1 (0.62) | KDM4EMEN1KMT2ANPC1RAB9A | |
| SCHEMBL4098506 | 0.74 | NPC1 (0.62) | KDM4EMEN1KMT2ANPC1RAB9A | |
| SCHEMBL1707282 | 0.73 | — | — |
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-114761082-A | Azepane derivatives | 日本化学药品株式会社 | 2022-07-15 | — | — | CN | disclosed |