Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | ITK | Q08881 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL18325695 | 0.75 | ALDH1A1 (0.37) | AURKAITKALDH1A1HPGDHTT | |
| SCHEMBL8282643 | 0.72 | HCAR2 (0.58) | AURKAITKHCAR2TSHR | |
| SCHEMBL2682846 | 0.71 | HCAR2 (0.48) | ALDH1A1HPGDHTTHCAR2TSHR | |
| SCHEMBL4752360 | 0.70 | CYP1A2 (0.42) | AURKAITKALDH1A1HPGDHTT | |
| SCHEMBL24551001 | 0.70 | AURKA (0.44) | AURKAITKALDH1A1HPGDHTT | |
| SCHEMBL17224422 | 0.67 | SOS1 (0.34) | — | |
| SCHEMBL19141479 | 0.67 | LMNA (0.35) | ALDH1A1HPGDHTTMAPTLMNA | |
| SCHEMBL22888432 | 0.67 | ITK (0.37) | AURKAITKALDH1A1HPGDRIPK1 | |
| SCHEMBL17224445 | 0.67 | CYP2C19 (0.49) | — | |
| SCHEMBL23567659 | 0.66 | KDM4E (0.47) | AURKAITKALDH1A1HPGDHCAR2 |
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 |