Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6679834 | 0.85 | TSHR (0.40) | TSHRCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL6679653 | 0.81 | TAAR1 (0.47) | TSHRCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL6682510 | 0.79 | TAAR1 (0.44) | TSHRCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL6682705 | 0.78 | IDO1 (0.45) | TAAR1LMNAIDO1PPARGPPARA | |
| SCHEMBL15319840 | 0.76 | TSHR (0.42) | TSHRCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL28303099 | 0.76 | HSPA5 (0.46) | TSHRCYP2D6TAAR1IDO1SLC6A2 | |
| SCHEMBL9514229 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL4685387 | 0.74 | GABRA1 (0.52) | TSHRCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL30614540 | 0.73 | GABRA1 (0.57) | TSHRCYP1A2LMNABLMSLC6A2 | |
| SCHEMBL1582641 | 0.73 | EPHX2 (0.47) | TSHRCYP1A2CYP2D6NFKB1CYP2C19 |
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 |