Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.35 |
| ▸ | CCR5 | P51681 | 2/20 | 0.35 |
| ▸ | CCR8 | P51685 | 2/20 | 0.35 |
| ▸ | NOS3 | P29474 | 3/20 | 0.34 |
| ▸ | NOS2 | P35228 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 3/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | AOX1 | Q06278 | 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 | |
|---|---|---|---|---|
| SCHEMBL17837436 | 1.00 | CCR1 (0.35) | CCR1CCR5CCR8NOS3NOS2 | |
| Diethylamine SCHEMBL1210047 | 0.89 | NOS2 (0.34) | NOS3NOS2ALDH1A1NPSR1LMNA | |
| SCHEMBL14620918 | 0.81 | KDM4E (0.39) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL305898 | 0.80 | CCR1 (0.39) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL4322219 | 0.79 | ERN1 (0.38) | CCR1CCR5CCR8ALDH1A1MEN1 | |
| SCHEMBL18297654 | 0.78 | ERN1 (0.35) | CCR1CCR5CCR8ALDH1A1MEN1 | |
| SCHEMBL25195292 | 0.77 | ALDH1A1 (0.48) | CCR1CCR5CCR8ALDH1A1MEN1 | |
| SCHEMBL30356708 | 0.77 | ALDH1A1 (0.48) | CCR1CCR5CCR8ALDH1A1MEN1 | |
| SCHEMBL13993974 | 0.75 | TRIM24 (0.44) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL249689 | 0.75 | NOS2 (0.54) | CCR1CCR5CCR8NOS3NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |