Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | MC4R | P32245 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.51 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.51 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | HTR5A | P47898 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | PNMT | P11086 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6672942 | 0.86 | SIGMAR1 (0.62) | SIGMAR1CYP1A2MC4RADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL16713355 | 0.84 | SIGMAR1 (0.60) | SIGMAR1CYP1A2MC4RADRA2AADRA2B | |
| SCHEMBL30073105 | 0.84 | SIGMAR1 (0.60) | SIGMAR1CYP1A2MC4RADRA2AADRA2B | |
| SCHEMBL23859933 | 0.80 | CYP1B1 (0.49) | SIGMAR1CYP1A2MC4RADRA2AADRA2B | |
| SCHEMBL29532429 | 0.80 | CYP1B1 (0.49) | SIGMAR1CYP1A2MC4RADRA2AADRA2B | |
| SCHEMBL9601544 | 0.78 | SIGMAR1 (0.52) | SIGMAR1CYP1A2MC4RADRA2AADRA2B | |
| SCHEMBL4224135 | 0.77 | SIGMAR1 (0.55) | SIGMAR1CYP1A2MC4RADRA2AADRA2B | |
| SCHEMBL3872119 | 0.77 | SIGMAR1 (0.55) | SIGMAR1CYP1A2MC4RADRA2AADRA2B | |
| SCHEMBL9314619 | 0.77 | SIGMAR1 (0.55) | SIGMAR1CYP1A2MC4RADRA2AADRA2B | |
| SCHEMBL3692387 | 0.77 | ESR1 (0.58) | SIGMAR1CYP1A2ADRA2AADRA2BADRA2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11322747-A | — | — | None | — | — | JP | disclosed |
| JP-H11322747-A | 2,7-DIAZA-1,2,3,6,7,8-HEXAHYDROPYRENE COMPOUND AND MANUFACTURE OF THE SAME | AGENCY OF IND SCIENCE & TECHNOL | 1999-11-24 | — | — | JP | disclosed |