Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | PNMT | P11086 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6684793 | 0.98 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL6685393 | 0.93 | PNMT (0.52) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL6684286 | 0.86 | ADRB2 (0.40) | CYP1A2CYP3A4CYP2D6NFKB1LMNA | |
| SCHEMBL21776127 | 0.86 | PNMT (0.55) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL6686875 | 0.84 | ADRB2 (0.41) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL23491328 | 0.84 | SOAT1 (0.38) | CYP1A2CYP3A4LMNAMEN1KMT2A | |
| SCHEMBL20178499 | 0.81 | MEN1 (0.43) | CYP1A2CYP3A4LMNAALDH1A1MEN1 | |
| SCHEMBL29788773 | 0.80 | L3MBTL1 (0.35) | ALDH1A1TSHRSOAT1 | |
| SCHEMBL24663173 | 0.80 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL6684349 | 0.80 | CSNK1E (0.42) | ALDH1A1MEN1KMT2ATSHRSOAT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0985649-B1 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES (JP) | 2004-11-24 | — | — | EP | disclosed |
| US-6462248-B1 | THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS | TORAY INDUSTRIES, INC. (JP) | 2002-10-08 | — | — | US | disclosed |
| EP-0985649-A2 | Method for producing an aromatic compound having an alkyl group with at least three carbon atoms | TORAY INDUSTRIES, INC. (JP) | 2000-03-15 | — | — | EP | disclosed |