Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.53 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.53 |
| ▸ | AGXT | P21549 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | GLS | O94925 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24614167 | 1.00 | CYP2A6 (0.53) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL9347774 | 1.00 | CYP2A6 (0.53) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL9347724 | 1.00 | CYP2A6 (0.53) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL368353 | 0.98 | CYP2A6 (0.55) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL346786 | 0.93 | CYP2A6 (0.56) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL7345698 | 0.93 | CYP2A6 (0.56) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| Carbamic Acid SCHEMBL9681965 | 0.90 | RAB9A (0.48) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL6963172 | 0.85 | CYP2A6 (0.60) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL7340276 | 0.85 | CYP2A6 (0.60) | CYP2A6ASIC3LOXL2ADRB2AGXT | |
| SCHEMBL9587702 | 0.83 | CYP2A6 (0.53) | CYP2A6ASIC3LOXL2ADRB2AGXT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012046818-A1 | METHOD FOR PRODUCING CHALCOGEN-CONTAINING CONDENSED POLYCYCLIC COMPOUND | 住友化学株式会社 (JP) | 2012-04-12 | — | — | WO | disclosed |
| US-4973764-A | USING ACID CATALYST | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1990-11-27 | — | — | US | disclosed |
| US-4914246-A | REACTING PHENOL AND LINEAR OLEFINS USING ACID CATALYST | EXXON RESEARCH & ENGINEERING COMPANY (US) | 1990-04-03 | — | — | US | disclosed |
| EP-0327585-A1 | ALKYLPHENOLS AND DERIVATIVES THEREOF VIA PHENOL ALKYLATION BY CRACKED PETROLEUM DISTILLATES | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1989-08-16 | — | — | EP | disclosed |
| WO-1988003133-A1 | ALKYLPHENOLS AND DERIVATIVES THEREOF VIA PHENOL ALKYLATION BY CRACKED PETROLEUM DISTILLATES | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1988-05-05 | — | — | WO | disclosed |