Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.47 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.45 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.41 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8824338 | 0.89 | GAA (0.41) | NCOA1NCOA3ALDH1A1CYP3A4TSHR | |
| SCHEMBL31305020 | 0.85 | GAA (0.52) | MAOANCOA1NCOA3ALDH1A1CYP3A4 | |
| SCHEMBL113777 | 0.85 | GAA (0.52) | MAOANCOA1NCOA3ALDH1A1CYP3A4 | |
| Water SCHEMBL5145621 | 0.83 | GAA (0.50) | MAOANCOA1NCOA3ALDH1A1CYP3A4 | |
| 4,4'-Methylenedianiline SCHEMBL29016440 | 0.79 | MAOA (0.75) | MAOAALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8703777 | 0.78 | GAA (0.56) | NCOA1NCOA3ALDH1A1CYP3A4TDP1 | |
| SCHEMBL8732491 | 0.76 | MAOA (0.68) | MAOAALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL6327218 | 0.76 | IDO1 (0.41) | NCOA1NCOA3ALDH1A1GAADPP4 | |
| SCHEMBL6141193 | 0.74 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TDP1GAAMEN1 | |
| Aniline SCHEMBL22169197 | 0.74 | MAOA (0.58) | MAOANCOA1NCOA3ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0392680-A2 | Aromatic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-10-17 | — | — | EP | disclosed |