Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 4/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3241999 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TSHRTDP1GFER | |
| SCHEMBL3244307 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TSHRTDP1GFER | |
| SCHEMBL9976791 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1GFER | |
| SCHEMBL514208 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1GFER | |
| SCHEMBL14081380 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1GFER | |
| SCHEMBL23891977 | 0.76 | IDO1 (0.56) | ALDH1A1TSHRTDP1NOS1MAPK1 | |
| SCHEMBL23177886 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1GFER | |
| SCHEMBL20343989 | 0.76 | ABAT (0.52) | ALDH1A1CYP3A4TDP1MEN1KMT2A | |
| SCHEMBL2468970 | 0.76 | IDO1 (0.56) | ALDH1A1TDP1RAB9AIDO1 | |
| SCHEMBL514209 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1GFER |
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-115219644-A | By means of H 2 Activity evaluation device and method for S-prepared aryl thioamide catalyst | 福州大学 | 2022-10-21 | — | — | CN | disclosed |