Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22897568 | 1.00 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL22897499 | 0.94 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL29560078 | 0.94 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL18579435 | 0.86 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL22897498 | 0.86 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL22897660 | 0.83 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL29560833 | 0.83 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL18579521 | 0.81 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL18579193 | 0.80 | RAB9A (0.72) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 | |
| SCHEMBL22897506 | 0.80 | KDM4E (0.46) | ALDH1A1SMN1; SMN2HTTKDM4ENPC1 |
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-114072000-A | Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2022-02-18 | — | — | CN | disclosed |