Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 6/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29929233 | 1.00 | MAPT (0.64) | MAPTSMN1; SMN2ALDH1A1HTTCYP1A2 | |
| SCHEMBL15603526 | 0.90 | MAPT (0.80) | MAPTSMN1; SMN2ALDH1A1HTTCYP1A2 | |
| SCHEMBL1456599 | 0.88 | MAPT (0.64) | MAPTSMN1; SMN2ALDH1A1HTTCYP1A2 | |
| SCHEMBL25393302 | 0.80 | MAPT (0.57) | MAPTSMN1; SMN2ALDH1A1HTTCYP1A2 | |
| SCHEMBL26617029 | 0.76 | MAPT (0.53) | MAPTSMN1; SMN2ALDH1A1HTTCYP1A2 | |
| SCHEMBL25393182 | 0.76 | MAPT (0.53) | MAPTSMN1; SMN2ALDH1A1HTTCYP1A2 | |
| SCHEMBL25397269 | 0.76 | MAPT (0.53) | MAPTSMN1; SMN2ALDH1A1HTTCYP1A2 | |
| SCHEMBL15519005 | 0.75 | MAPT (0.51) | MAPTSMN1; SMN2ALDH1A1HTTCYP1A2 | |
| SCHEMBL29828602 | 0.74 | MAPT (0.50) | MAPTSMN1; SMN2ALDH1A1HTTCYP1A2 | |
| SCHEMBL27032910 | 0.74 | MAPT (0.50) | MAPTSMN1; SMN2ALDH1A1HTTCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115232117-B | Substituted isoxazole pyrimidine amine compound, preparation method and application thereof | 沈阳中化农药化工研发有限公司 | 2024-07-16 | — | — | CN | disclosed |
| CN-115232117-A | Substituted isoxazole pyrimidinamine compound and preparation method and application thereof | 沈阳中化农药化工研发有限公司 | 2022-10-25 | — | — | CN | disclosed |
| CN-115232083-A | Substituted isoxazolyl ethylamine compounds and preparation method and application thereof | 沈阳中化农药化工研发有限公司 | 2022-10-25 | — | — | CN | disclosed |