Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 19/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | HTR1A | P08908 | 1/20 | 0.63 |
| ▸ | HTR2A | P28223 | 1/20 | 0.63 |
| ▸ | HTR2C | P28335 | 1/20 | 0.63 |
| ▸ | HRH1 | P35367 | 1/20 | 0.63 |
| ▸ | HTR2B | P41595 | 1/20 | 0.63 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.63 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL7817416 | 1.00 | TACR1 (0.69) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL7820149 | 1.00 | TACR1 (0.69) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL7826627 | 0.99 | TACR1 (0.68) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL7826622 | 0.99 | TACR1 (0.68) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL7826629 | 0.99 | TACR1 (0.68) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL7810248 | 0.92 | TACR1 (0.81) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL7810246 | 0.92 | TACR1 (0.81) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| SCHEMBL7810251 | 0.92 | TACR1 (0.81) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL7808807 | 0.92 | TACR1 (0.80) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL7808815 | 0.92 | TACR1 (0.80) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0655996-B1 | SUBSTITUTED BENZYLAMINO NITROGEN CONTAINING NON-AROMATIC HETEROCYCLES | PFIZER (US) | 2001-11-07 | — | — | EP | claimed |
| EP-1114823-A2 | Substituted benzylamino nitrogen containing non-aromatic heterocycles | PFIZER INC. (US) | 2001-07-11 | — | — | EP | claimed |
| EP-0655996-A1 | SUBSTITUTED BENZYLAMINO NITROGEN CONTAINING NON-AROMATIC HETEROCYCLES | PFIZER INC. (US) | 1995-06-07 | — | — | EP | claimed |
| WO-1994004496-A9 | SUBSTITUTED BENZYLAMINO NITROGEN CONTAINING NON-AROMATIC HETEROCYCLES | — | 1995-01-26 | — | — | WO | claimed |
| WO-1994004496-A1 | SUBSTITUTED BENZYLAMINO NITROGEN CONTAINING NON-AROMATIC HETEROCYCLES | PFIZER INC. (US) | 1994-03-03 | — | — | WO | claimed |
| EP-0655996-B1 | SUBSTITUTED BENZYLAMINO NITROGEN CONTAINING NON-AROMATIC HETEROCYCLES | PFIZER (US) | 2001-11-07 | — | — | EP | disclosed |