Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL43944 | 0.89 | CYP3A4 (0.43) | TSHRALOX15TAAR1ALDH1A1CYP3A4 | |
| SCHEMBL29443967 | 0.89 | CYP3A4 (0.43) | TSHRALOX15TAAR1ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL9834388 | 0.87 | CYP3A4 (0.42) | ALOX15TAAR1ALDH1A1CYP3A4SMN1; SMN2 | |
| Dimethylamine SCHEMBL11264463 | 0.83 | SIGMAR1 (0.39) | ALOX15TAAR1ALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL30595395 | 0.81 | HTR1A (0.64) | TSHRHTR1ATAAR1HSPA5HIF1A | |
| SCHEMBL51747 | 0.81 | HTR1A (0.64) | TSHRHTR1ATAAR1HSPA5HIF1A | |
| SCHEMBL10438966 | 0.79 | IAPP (0.44) | HTR1ATAAR1HSPA5IAPPELANE | |
| Hydrogen Sulfide SCHEMBL11212668 | 0.79 | HTR1A (0.62) | TSHRHTR1ATAAR1HSPA5HIF1A | |
| Benzene SCHEMBL21359906 | 0.79 | HTR1A (0.62) | TSHRHTR1ATAAR1HSPA5HIF1A | |
| SCHEMBL28362117 | 0.79 | HTR1A (0.62) | TSHRHTR1ATAAR1HSPA5HIF1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-59046266-A | — | — | None | — | — | JP | disclosed |
| JP-S5946266-A | NOVEL MALEIMIDE DERIVATIVE AND ITS PREPARATION | MITSUI TOATSU CHEM INC | 1984-03-15 | — | — | JP | disclosed |