Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 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 | |
|---|---|---|---|---|
| SCHEMBL31493010 | 0.84 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2NUDT1L3MBTL1TSHR | |
| SCHEMBL1564355 | 0.81 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2NUDT1L3MBTL1TSHR | |
| SCHEMBL31492988 | 0.81 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2NUDT1L3MBTL1TSHR | |
| SCHEMBL31493105 | 0.81 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2NUDT1L3MBTL1TSHR | |
| SCHEMBL31493092 | 0.80 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2NUDT1L3MBTL1TSHR | |
| SCHEMBL11464975 | 0.77 | NUDT1 (0.67) | ALDH1A1SMN1; SMN2NUDT1L3MBTL1TSHR | |
| SCHEMBL11256504 | 0.77 | MAPT (0.58) | ALDH1A1SMN1; SMN2NUDT1L3MBTL1TSHR | |
| SCHEMBL12157689 | 0.76 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2NUDT1L3MBTL1TSHR | |
| SCHEMBL8557424 | 0.75 | KMT2A (0.61) | ALDH1A1SMN1; SMN2NUDT1L3MBTL1TSHR | |
| SCHEMBL26840293 | 0.75 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NUDT1L3MBTL1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4352806-A | Selected 2-trichloromethyl-4-pyrimidinyl carboxylic esters and their use as fungicides | OLIN CORPORATION (US) | 1982-10-05 | — | — | US | disclosed |