Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | CFTR | P13569 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20178136 | 0.91 | TACR1 (0.55) | TACR1CYP2D6CFTRKDM1AMAOA | |
| Hydrochloric Acid SCHEMBL9420087 | 0.82 | TACR1 (0.57) | TACR1CYP2D6KCNH2HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL8682546 | 0.82 | TACR1 (0.42) | TACR1CYP2D6CFTRKDM1AMAOA | |
| SCHEMBL8328962 | 0.81 | TACR1 (0.53) | TACR1CFTRKDM1AMAOAMAOB | |
| SCHEMBL8328961 | 0.81 | TACR1 (0.53) | TACR1CFTRKDM1AMAOAMAOB | |
| SCHEMBL7718909 | 0.81 | TACR1 (0.43) | TACR1CYP2D6CFTRKCNH2HTR1A | |
| Hydrochloric Acid SCHEMBL8681413 | 0.80 | TACR1 (0.43) | TACR1CYP2D6CFTRKCNH2HTR1A | |
| SCHEMBL1626959 | 0.80 | KMT2A (0.53) | TACR1KDM1AMAOAMAOB | |
| Hydrochloric Acid SCHEMBL8683252 | 0.80 | TACR1 (0.41) | TACR1CYP2D6CFTRHTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL8681023 | 0.78 | CFTR (0.41) | TACR1CYP2D6CFTR |
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 |
|---|---|---|---|---|---|---|---|
| US-9981910-B2 | Substituted pyrrolidines and methods of use | ABBVIE S.Á.R.L. (LU) | 2018-05-29 | — | — | US | disclosed |