Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ESRRG | P62508 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Tert-Butylbenzene SCHEMBL29171481 | 0.81 | MAPK1 (0.42) | TSHRMAPK1MAPTTDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL4584847 | 0.81 | MAPK1 (0.42) | TSHRMAPK1MAPTTDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL28557249 | 0.80 | MAPK1 (0.46) | TSHRMAPK1MAPTTDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL18889 | 0.80 | MAPK1 (0.55) | TSHRMAPK1MAPTTDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL2568053 | 0.80 | MAPK1 (0.55) | TSHRMAPK1MAPTTDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL22264597 | 0.80 | MAPK1 (0.55) | TSHRMAPK1MAPTTDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL22264599 | 0.80 | MAPK1 (0.55) | TSHRMAPK1MAPTTDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL337648 | 0.80 | MAPK1 (0.55) | TSHRMAPK1MAPTTDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL27327555 | 0.78 | MAPK1 (0.48) | TSHRMAPK1MAPTTDP1L3MBTL1 | |
| Tert-Butylbenzene SCHEMBL27957625 | 0.78 | MAPK1 (0.48) | TSHRMAPK1MAPTTDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101163670-A | Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist, and pharmaceutical compositions containing the same | AMOREPACIFIC CORP (KR) | 2008-04-16 | — | — | CN | disclosed |