Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | PNMT | P11086 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8161295 | 0.76 | PNMT (0.57) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL21921025 | 0.73 | PNMT (0.53) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL423182 | 0.72 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL22801396 | 0.72 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL20216041 | 0.72 | ESR1 (0.47) | CYP3A4CYP2D6ALDH1A1LMNATSHR | |
| SCHEMBL5690469 | 0.71 | CYP1A2 (0.46) | CYP1A2ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL10299691 | 0.70 | ALDH1A1 (0.34) | CYP1A2CYP3A4CYP2D6ALDH1A1LMNA | |
| SCHEMBL4027032 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL11501928 | 0.70 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL6506736 | 0.69 | PNMT (0.48) | CYP1A2CYP3A4CYP2D6NFKB1PNMT |
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-5886218-A | REACTING 3,4-DICHLOROTOLUENE WITH ACETYL CHLORIDE OR CHLOROACETYL CHLORIDE USING A FRIEDEL-CRAFTS CATALYST; OXIDIZING THE ACETYLATED INTERMEDIATE IN THE PRESENCE OF AN ALKALI TO PRODUCE THE SALT SUBSEQUENTLY HYDROLYZED | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-03-23 | — | — | US | disclosed |