Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.83 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.67 |
| ▸ | HTR1A | P08908 | 1/20 | 0.66 |
| ▸ | HTR2A | P28223 | 1/20 | 0.66 |
| ▸ | HTR2C | P28335 | 1/20 | 0.66 |
| ▸ | HRH1 | P35367 | 1/20 | 0.66 |
| ▸ | HTR2B | P41595 | 1/20 | 0.66 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.66 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.66 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL6756110 | 0.94 | TACR1 (0.79) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL4916129 | 0.93 | TACR1 (0.77) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL4913456 | 0.91 | TACR1 (0.81) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL4914569 | 0.91 | TACR1 (1.00) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL8460140 | 0.91 | TACR1 (1.00) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL4918568 | 0.90 | TACR1 (0.98) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL4915848 | 0.87 | TACR1 (0.86) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL4918415 | 0.87 | TACR1 (0.86) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL4918599 | 0.86 | TACR1 (0.85) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL6702021 | 0.86 | TACR1 (0.74) | TACR1CYP2D6KCNH2HTR1AHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0773026-A2 | NK-1 receptor antagonists for the treatment of cancer | PFIZER INC. (US) | 1997-05-14 | — | — | EP | disclosed |