Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.59 |
| ▸ | HRH1 | P35367 | 3/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.59 |
| ▸ | RET | P07949 | 2/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.59 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.59 |
| ▸ | HTR1A | P08908 | 2/20 | 0.59 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.59 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.59 |
| ▸ | DRD2 | P14416 | 2/20 | 0.59 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.59 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.59 |
| ▸ | DRD1 | P21728 | 2/20 | 0.59 |
| ▸ | HRH2 | P25021 | 2/20 | 0.59 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL7609163 | 0.92 | SLC6A2 (0.65) | SLC6A2HRH1CYP1A2ADRB2RET | |
| SCHEMBL7603906 | 0.88 | SLC6A2 (0.62) | SLC6A2HRH1CYP1A2ADRB2RET | |
| SCHEMBL11312659 | 0.84 | HRH1 (0.60) | SLC6A2HRH1CYP1A2ADRB2RET | |
| SCHEMBL25588216 | 0.80 | HRH1 (0.55) | SLC6A2HRH1CYP1A2ADRB2RET | |
| Amitriptyline SCHEMBL28215846 | 0.80 | HRH1 (0.69) | SLC6A2HRH1CYP1A2ADRB2RET | |
| Amitriptyline SCHEMBL28355287 | 0.79 | HRH1 (0.83) | SLC6A2HRH1CYP1A2ADRB2RET | |
| SCHEMBL16726814 | 0.79 | SLC6A2 (0.72) | SLC6A2HRH1CYP1A2ADRB2RET | |
| SCHEMBL9179501 | 0.79 | HRH1 (0.70) | SLC6A2HRH1CYP1A2CHRM2CHRM4 | |
| SCHEMBL9181983 | 0.79 | HRH1 (0.70) | SLC6A2HRH1CYP1A2CHRM2CHRM4 | |
| SCHEMBL9179508 | 0.79 | HRH1 (0.70) | SLC6A2HRH1CYP1A2CHRM2CHRM4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180256495-A1 | EXTERNAL PREPARATION COMPRISING FATTY ACID SALT OR BENZOIC ACID SALT OF BASIC PHARMACOLOGICALLY ACTIVE COMPONENT, AND METHOD FOR PRODUCTION THEREOF | MEDRX CO., LTD. (JP) | 2018-09-13 | — | — | US | disclosed |
| US-20110152377-A1 | EXTERNAL PREPARATION COMPRISING FATTY ACID SALT OR BENZOIC ACID SALT OF BASIC PHARMACOLOGICALLY ACTIVE COMPONENT, AND METHOD FOR PRODUCTION THEREOF | MEDRX CO., LTD. (JP) | 2011-06-23 | — | — | US | disclosed |
| EP-2311498-A1 | EXTERNAL PREPARATION COMPRISING FATTY ACID SALT OR BENZOIC ACID SALT OF BASIC PHARMACOLOGICALLY ACTIVE COMPONENT, AND METHOD FOR PRODUCTION THEREOF | Medrx Co., Ltd. (JP) | 2011-04-20 | — | — | EP | disclosed |