Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 3/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 3/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | TACR2 | P21452 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8561168 | 0.83 | PDE4A (0.40) | HPGDTSHRPDE4APDE4BPDE4C | |
| SCHEMBL8558084 | 0.79 | PTAFR (0.37) | PDE4APDE4BPDE4CPDE4DTACR1 | |
| SCHEMBL8556339 | 0.79 | TACR1 (0.58) | TACR1TACR2 | |
| Hydrochloric Acid SCHEMBL8593049 | 0.79 | CCR3 (0.42) | SLC6A2SLC6A4TACR1 | |
| Hydrochloric Acid SCHEMBL8368423 | 0.79 | TACR1 (0.53) | TACR1TACR2SIGMAR1 | |
| SCHEMBL8556923 | 0.75 | TACR2 (0.58) | TSHRPDE4DSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8594002 | 0.75 | TACR1 (0.46) | TACR1TACR2SIGMAR1 | |
| SCHEMBL3646955 | 0.70 | RORC (0.48) | SLC6A2SLC6A4SLC6A3KCNH2SIGMAR1 | |
| SCHEMBL8564881 | 0.68 | PDE4A (0.38) | HPGDTSHRPDE4APDE4BPDE4C | |
| SCHEMBL7846535 | 0.65 | OPRK1 (0.43) | SLC6A2SLC6A4SLC6A3KCNA5SIGMAR1 |
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-5807865-A | 3,3-disubstituted piperidine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 1998-09-15 | — | — | US | disclosed |