Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25077636 | 0.78 | MEN1 (0.36) | CCR5ALDH1A1PTGDR2HPGDKMT2A | |
| SCHEMBL14320203 | 0.78 | ALDH1A1 (0.43) | KDM4ETDP1ALDH1A1HPGDTSHR | |
| SCHEMBL19513178 | 0.76 | CCR5 (0.48) | CCR5KDM4ELMNATDP1ALDH1A1 | |
| SCHEMBL23085712 | 0.75 | CCR5 (0.35) | CCR5KDM4EALDH1A1 | |
| SCHEMBL282542 | 0.74 | CCR5 (0.57) | CCR5KDM4ELMNATDP1ALDH1A1 | |
| SCHEMBL23085568 | 0.74 | HRH3 (0.32) | CYP2D6FDPS | |
| SCHEMBL19980133 | 0.73 | ACHE (0.48) | KDM4ELMNAPOLB | |
| SCHEMBL20344406 | 0.73 | PRSS1 (0.32) | ALDH1A1 | |
| SCHEMBL26408121 | 0.73 | LTA4H (0.36) | CCR5LMNAALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL2795919 | 0.73 | PTGDR2 (0.39) | CCR5KDM4ELMNATDP1PTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021046407-A1 | RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME | RIGEL PHARMACEUTICALS, INC. (US) | 2021-03-11 | — | — | WO | disclosed |