Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.47 |
| ▸ | CCR2 | P41597 | 3/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25603936 | 0.87 | KCNH2 (0.47) | KCNH2CCR2HRH3TDP1KDM4E | |
| SCHEMBL25603933 | 0.87 | KCNH2 (0.47) | KCNH2CCR2HRH3TDP1KDM4E | |
| SCHEMBL18705111 | 0.84 | HRH3 (0.48) | KCNH2CCR2PIK3CDHRH3TDP1 | |
| SCHEMBL26445295 | 0.82 | KCNH2 (0.40) | KCNH2CCR2HRH3TDP1KDM4E | |
| SCHEMBL14453910 | 0.82 | KCNH2 (0.40) | KCNH2CCR2HRH3TDP1KDM4E | |
| SCHEMBL23594008 | 0.82 | KCNH2 (0.40) | KCNH2CCR2HRH3TDP1KDM4E | |
| SCHEMBL19083203 | 0.82 | KCNH2 (0.40) | KCNH2CCR2HRH3TDP1KDM4E | |
| SCHEMBL25565194 | 0.80 | PIK3CD (0.43) | KCNH2CCR2PIK3CDHRH3TDP1 | |
| SCHEMBL25558603 | 0.79 | HRH3 (0.41) | KCNH2CCR2PIK3CDCNR1HRH3 | |
| SCHEMBL25461036 | 0.79 | HRH3 (0.40) | KCNH2CCR2HRH3ALDH1A1CACNA2D1 |
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-2022235715-A1 | COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE | NURIX THERAPEUTICS, INC. (US) | 2022-11-10 | — | — | WO | disclosed |