Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.61 |
| ▸ | GFER | P55789 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3928222 | 0.86 | ALDH1A1 (0.69) | ALDH1A1KMT2AGFERKDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL9851658 | 0.84 | ALDH1A1 (0.70) | ALDH1A1KMT2AGFERKDM4ENPC1 | |
| SCHEMBL9381303 | 0.84 | ALDH1A1 (0.69) | ALDH1A1KMT2AGFERMAPTMAPK1 | |
| SCHEMBL4875267 | 0.76 | ALDH1A1 (0.79) | ALDH1A1KMT2AGFERKDM4EMEN1 | |
| SCHEMBL6692694 | 0.76 | HPGD (0.59) | ALDH1A1KMT2AGFERKDM4ENPC1 | |
| SCHEMBL5356971 | 0.76 | ALDH1A1 (1.00) | ALDH1A1KMT2AGFERMEN1MAPT | |
| SCHEMBL10107784 | 0.76 | ALDH1A1 (1.00) | ALDH1A1KMT2AGFERMEN1MAPT | |
| SCHEMBL1977011 | 0.75 | KMT2A (0.80) | ALDH1A1KMT2AKDM4ENPC1MEN1 | |
| Hydrochloric Acid SCHEMBL23929052 | 0.75 | SLC6A4 (0.56) | ALDH1A1KMT2AGFERKDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL10675086 | 0.75 | ALDH1A1 (1.00) | ALDH1A1KMT2AGFERMEN1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999025682-A1 | ELEVATION OF HDL CHOLESTEROL BY 4-[(AMINOTHIOXOMETHYL) -HYDRAZONO] -N-(SUBSTITUTED) -4-ARYLBUTANAMIDES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-05-27 | — | — | WO | disclosed |