Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL455048 | 0.78 | ALDH1A1 (0.30) | ALDH1A1CYP2A6 | |
| Chlorobenzene SCHEMBL6877307 | 0.77 | TSHR (0.58) | ALDH1A1CYP2A6MAPTALOX15TSHR | |
| Fluorobenzene SCHEMBL25292684 | 0.76 | NFE2L2 (0.46) | NFE2L2ALDH1A1CYP2A6PLA2G7NPC1 | |
| Fluorobenzene SCHEMBL5606701 | 0.76 | NFE2L2 (0.46) | NFE2L2ALDH1A1CYP2A6MAPTNPC1 | |
| Fluorobenzene SCHEMBL29255955 | 0.76 | NFE2L2 (0.46) | NFE2L2ALDH1A1CYP2A6MAPTNPC1 | |
| Toluene SCHEMBL458351 | 0.75 | LMNA (0.55) | ALDH1A1CYP2A6MAPTNPC1RAB9A | |
| Trifluoromethylbenzene SCHEMBL7209775 | 0.75 | TSHR (0.61) | ALDH1A1MAPTNPC1RAB9ATSHR | |
| Fluorobenzene SCHEMBL12363 | 0.74 | — | — | |
| SCHEMBL22526495 | 0.74 | NFE2L2 (0.53) | NFE2L2ALDH1A1CYP2A6MAPTNPC1 | |
| Fluorobenzene SCHEMBL15544432 | 0.74 | NFE2L2 (0.53) | NFE2L2ALDH1A1CYP2A6MAPTNPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1303503-B1 | ANILINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-01-27 | — | — | EP | disclosed |
| EP-1456171-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003053919-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2003-07-03 | — | — | WO | disclosed |
| EP-1299385-A2 | FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION | Bristol-Myers Squibb Company (US) | 2003-04-09 | — | — | EP | disclosed |
| WO-2002000653-A2 | FUSED CYCLIC COMPOUNDS AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-01-03 | — | — | WO | disclosed |