Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 1/20 | 0.76 |
| ▸ | MAP4K4 | O95819 | 6/20 | 0.74 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.45 |
| ▸ | ACVR1 | Q04771 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30575860 | 0.99 | IP6K1 (0.74) | IP6K1MAP4K4HTTTGFBR1ACVR1 | |
| SCHEMBL14487035 | 0.86 | IP6K1 (1.00) | IP6K1MAP4K4MAPT | |
| SCHEMBL5137752 | 0.85 | MAP4K4 (1.00) | IP6K1MAP4K4HTTALDH1A1MAPT | |
| SCHEMBL10968370 | 0.82 | IP6K1 (0.76) | IP6K1MAP4K4HTTCYP1A2CYP3A4 | |
| SCHEMBL30576156 | 0.81 | IP6K1 (0.61) | IP6K1MAP4K4MAPT | |
| Hydrochloric Acid SCHEMBL30576101 | 0.80 | IP6K1 (0.60) | IP6K1MAP4K4MAPT | |
| SCHEMBL14537161 | 0.77 | IP6K1 (0.59) | IP6K1MAP4K4 | |
| Hydrochloric Acid SCHEMBL30575936 | 0.77 | IP6K1 (0.52) | IP6K1MAP4K4 | |
| SCHEMBL30104253 | 0.77 | HTR3E (0.50) | IP6K1MAP4K4TGFBR1ACVR1MAPT | |
| SCHEMBL30478684 | 0.74 | IP6K1 (0.71) | IP6K1MAP4K4 |
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-117500803-A | Amino-substituted heterocycles for the treatment of cancers with EGFR mutations | 纽威伦特公司 | 2024-02-02 | — | — | CN | disclosed |