Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
| ▸ | HTR1A | P08908 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.59 |
| ▸ | HRH1 | P35367 | 1/20 | 0.59 |
| ▸ | HTR2B | P41595 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4918321 | 1.00 | TACR1 (0.74) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL6424808 | 0.99 | TACR1 (0.72) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL4913489 | 0.99 | TACR1 (0.72) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL4907096 | 0.89 | TACR1 (0.72) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL4917005 | 0.88 | TACR1 (0.77) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL4914589 | 0.87 | TACR1 (0.75) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL6708199 | 0.86 | TACR1 (0.76) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL6699054 | 0.86 | TACR1 (0.70) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL6699080 | 0.86 | TACR1 (0.76) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL4917057 | 0.85 | TACR1 (0.75) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0854720-A1 | NK-1 RECEPTOR ANTAGONISTS FOR PREVENTION OF NEUROGENIC INFLAMMATION IN GENE THERAPY | PFIZER INC. (US) | 1998-07-29 | — | — | EP | disclosed |
| WO-1997013514-A1 | NK-1 RECEPTOR ANTAGONISTS FOR PREVENTION OF NEUROGENIC INFLAMMATION IN GENE THERAPY | PFIZER INC. (US) | 1997-04-17 | — | — | WO | disclosed |