Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.65 |
| ▸ | HPGD | P15428 | 9/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28835294 | 0.82 | ALDH1A1 (0.63) | ALDH1A1HPGDNPC1L3MBTL1GLA | |
| SCHEMBL3215052 | 0.78 | ALDH1A1 (0.75) | ALDH1A1HPGDNPC1L3MBTL1GLA | |
| Hydrochloric Acid SCHEMBL10710405 | 0.76 | ALDH1A1 (0.77) | ALDH1A1HPGDNPC1L3MBTL1GLA | |
| SCHEMBL3201536 | 0.76 | ALDH1A1 (0.83) | ALDH1A1HPGDNPC1L3MBTL1GLA | |
| SCHEMBL5243576 | 0.76 | ALDH1A1 (0.71) | ALDH1A1HPGDNPC1L3MBTL1LMNA | |
| SCHEMBL7979174 | 0.75 | ALDH1A1 (0.56) | ALDH1A1HPGDNPC1L3MBTL1GLA | |
| SCHEMBL6360984 | 0.74 | ALDH1A1 (0.80) | ALDH1A1HPGDNPC1L3MBTL1GLA | |
| SCHEMBL1233188 | 0.74 | HPGD (0.71) | ALDH1A1HPGDNPC1L3MBTL1GLA | |
| SCHEMBL16898143 | 0.74 | ALDH1A1 (0.73) | ALDH1A1HPGDNPC1L3MBTL1GLA | |
| SCHEMBL1232969 | 0.73 | HPGD (0.70) | ALDH1A1HPGDNPC1L3MBTL1GLA |
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-109096177-A | 3- amido benzoic acid derivative, preparation method and medical usage | 中国药科大学 | 2018-12-28 | — | — | CN | disclosed |