Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.46 |
| ▸ | GAK | O14976 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 3/20 | 0.35 |
| ▸ | FABP4 | P15090 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.34 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.34 |
| ▸ | STK16 | O75716 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 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 | |
|---|---|---|---|---|
| SCHEMBL8004155 | 0.86 | SLC22A12 (0.49) | GAKHTTCYP1A2CYP2C19SLC22A12 | |
| SCHEMBL24363075 | 0.82 | ALK (0.46) | ALKGAKHTTCYP1A2CYP2C19 | |
| SCHEMBL29632066 | 0.82 | ALK (0.46) | ALKGAKHTTCYP1A2CYP2C19 | |
| SCHEMBL11967045 | 0.80 | AURKA (0.39) | ALKHTTLMNASMN1; SMN2NR4A2 | |
| SCHEMBL10330490 | 0.80 | ADRA1A (0.51) | LMNASMN1; SMN2NR4A2AAK1MEN1 | |
| SCHEMBL22648432 | 0.79 | FERMT2 (0.45) | GAKNR4A2AAK1 | |
| SCHEMBL24420728 | 0.79 | NR4A2 (0.58) | CYP1A2LMNASMN1; SMN2NR4A2MEN1 | |
| SCHEMBL15836948 | 0.76 | HTR1A (0.55) | GAKCYP1A2LMNAEGFRRIPK2 | |
| SCHEMBL24716909 | 0.76 | NR4A2 (0.35) | SMN1; SMN2NR4A2 | |
| SCHEMBL30390607 | 0.76 | ALK (0.50) | ALKGAKHTTCYP1A2CYP2C19 |
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-109937201-A | HEPATITIS B CORE PROTEIN MODULATORS | 组装生物科学股份有限公司 | 2019-06-25 | — | — | CN | disclosed |