Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.76 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.76 |
| ▸ | HTR2B | P41595 | 3/20 | 0.76 |
| ▸ | RET | P07949 | 3/20 | 0.76 |
| ▸ | HRH1 | P35367 | 3/20 | 0.76 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.76 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.76 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.76 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.76 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.76 |
| ▸ | HTR1A | P08908 | 2/20 | 0.76 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.76 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.76 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.76 |
| ▸ | DRD2 | P14416 | 2/20 | 0.76 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.76 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.76 |
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 | |
|---|---|---|---|---|
| Nortriptyline SCHEMBL7092935 | 0.87 | LMNA (0.94) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Nortriptyline SCHEMBL34527 | 0.87 | SLC6A2 (1.00) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Nortriptyline SCHEMBL29362430 | 0.87 | SLC6A2 (1.00) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Nortriptyline SCHEMBL1286980 | 0.87 | SLC6A2 (1.00) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Nortriptyline SCHEMBL29751879 | 0.86 | CYP3A4 (1.00) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Nortriptyline SCHEMBL41329 | 0.86 | CYP3A4 (1.00) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Nortriptyline SCHEMBL7158809 | 0.86 | SLC6A2 (0.97) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| SCHEMBL21859431 | 0.85 | LMNA (0.78) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| SCHEMBL22147029 | 0.85 | LMNA (0.78) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 | |
| Nortriptyline SCHEMBL2244623 | 0.84 | SLC6A2 (0.94) | LMNACYP3A4SLC6A2CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020063999-A1 | MONO HALOGEN OR METHYL-SUBSTITUTED 5-HT2B ANTAGONISTS WITH INCREASED ACTIVITY | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2020-04-02 | — | — | WO | disclosed |