Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.37 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.36 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6202623 | 0.83 | ADRB2 (0.38) | ADRB2ALDH1A1HTTCYP2C19CA2 | |
| SCHEMBL6222098 | 0.81 | LMNA (0.45) | ALDH1A1CA2CA1NPC1RAB9A | |
| SCHEMBL11188791 | 0.77 | TSHR (0.50) | CA2HIF1A | |
| SCHEMBL30879561 | 0.76 | CYP2C19 (0.58) | ALDH1A1CYP2C19 | |
| SCHEMBL7106093 | 0.75 | ERCC1 (0.48) | CYP2C19NPC1RAB9AERCC1ERCC4 | |
| SCHEMBL30541773 | 0.73 | CXCR4 (0.44) | ALDH1A1CYP2C19NPC1RAB9AERCC1 | |
| SCHEMBL30541775 | 0.73 | PTPN1 (0.38) | ALDH1A1CYP2C19NPC1RAB9AERCC1 | |
| SCHEMBL6808948 | 0.71 | ALDH1A1 (0.43) | ADRB2ALDH1A1HTTCA2CA1 | |
| SCHEMBL6802528 | 0.71 | DPP7 (0.35) | ADRB2ALDH1A1HTTCA2CA1 | |
| SCHEMBL16839871 | 0.71 | TUBB4A (0.43) | ALDH1A1CYP2C19NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0080334-A1 | 4-(N-(hydroxybenzyl)aminomethyl)cyclohexane-1-carboxylic acids | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1983-06-01 | — | — | EP | disclosed |