Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | AGXT | P21549 | 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 | |
|---|---|---|---|---|
| SCHEMBL27686733 | 0.86 | SGMS2 (0.41) | SLC6A2TAAR1SGMS2LMNAMAOB | |
| SCHEMBL27669066 | 0.81 | SLC6A2 (0.45) | SLC6A2TAAR1SGMS2ESR1ESR2 | |
| SCHEMBL10780111 | 0.79 | SGMS2 (0.44) | SLC6A2TAAR1SGMS2MAOBTSHR | |
| SCHEMBL10775828 | 0.76 | SGMS2 (0.42) | SLC6A2TAAR1SGMS2MAOBTSHR | |
| SCHEMBL31240845 | 0.76 | MAOB (0.35) | SGMS2MAOBTSHRATMIDO1 | |
| SCHEMBL15776936 | 0.75 | SGMS2 (0.40) | SGMS2MAOBTSHRCTSLCTSB | |
| Phenol SCHEMBL28851094 | 0.73 | LMNA (0.44) | SLC6A2TAAR1ESR1ESR2LMNA | |
| SCHEMBL11636438 | 0.72 | TSHR (0.48) | SLC6A2TAAR1LMNACYP2D6TSHR | |
| SCHEMBL3410274 | 0.72 | TSHR (0.48) | SLC6A2TAAR1SGMS2LMNACYP2D6 | |
| Ammonia Solution, Strong SCHEMBL27480113 | 0.72 | TSHR (0.48) | SLC6A2TAAR1LMNACYP2D6MAOB |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1252018-C | 2-benzyloxy-1-bromine-4-(1,1-dimethyl octyl) benzene, synthetic method and usage | UNIV WUHAN (CN) | 2006-04-19 | — | — | CN | claimed |
| CN-1252024-C | 3-[2-benzyloxy-4-(1,1-dimethyl octyl) phenyl] cycllhexanone, synthetic method and usage | UNIV WUHAN (CN) | 2006-04-19 | — | — | CN | claimed |
| CN-1252017-C | 1-benzyloxy-3-(1.1 dimethyl-octane group) benzene as well as synthetic method and usage | UNIV WUHAN (CN) | 2006-04-19 | — | — | CN | claimed |
| CN-1562935-A | 3-[2-benzyloxy-4-(1,1-dimethyl octyl) phenyl] cycllhexanone, synthetic method and usage | UNIV WUHAN (CN) | 2005-01-12 | — | — | CN | claimed |
| CN-1562929-A | 2-benzyloxy-1-bromine-4-(1,1-dimethyl octyl) benzene, synthetic method and usage | UNIV WUHAN (CN) | 2005-01-12 | — | — | CN | claimed |
| CN-1562928-A | 1-benzyloxy-3-(1.1 dimethyl-octane group) benzene as well as synthetic method and usage | UNIV WUHAN (CN) | 2005-01-12 | — | — | CN | claimed |
| CN-1252024-C | 3-[2-benzyloxy-4-(1,1-dimethyl octyl) phenyl] cycllhexanone, synthetic method and usage | UNIV WUHAN (CN) | 2006-04-19 | — | — | CN | disclosed |
| CN-1252018-C | 2-benzyloxy-1-bromine-4-(1,1-dimethyl octyl) benzene, synthetic method and usage | UNIV WUHAN (CN) | 2006-04-19 | — | — | CN | disclosed |
| CN-1252017-C | 1-benzyloxy-3-(1.1 dimethyl-octane group) benzene as well as synthetic method and usage | UNIV WUHAN (CN) | 2006-04-19 | — | — | CN | disclosed |
| CN-1252013-C | (2)-3-[4-(1,1 dimethyl oxty1)-2-phenolic group] cyclohexanol, and synthetic method | UNIV WUHAN (CN) | 2006-04-19 | — | — | CN | disclosed |
| CN-1562935-A | 3-[2-benzyloxy-4-(1,1-dimethyl octyl) phenyl] cycllhexanone, synthetic method and usage | UNIV WUHAN (CN) | 2005-01-12 | — | — | CN | disclosed |
| CN-1562925-A | (2)-3-[4-(1,1 dimethyl oxty1)-2-phenolic group] cyclohexanol, and synthetic method | UNIV WUHAN (CN) | 2005-01-12 | — | — | CN | disclosed |
| CN-1562929-A | 2-benzyloxy-1-bromine-4-(1,1-dimethyl octyl) benzene, synthetic method and usage | UNIV WUHAN (CN) | 2005-01-12 | — | — | CN | disclosed |
| CN-1562928-A | 1-benzyloxy-3-(1.1 dimethyl-octane group) benzene as well as synthetic method and usage | UNIV WUHAN (CN) | 2005-01-12 | — | — | CN | disclosed |