Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 10/20 | 0.66 |
| ▸ | HTR1B | P28222 | 10/20 | 0.66 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.37 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6101028 | 0.89 | HTR1D (0.60) | HTR1DHTR1BHTR1AXIAPBIRC2 | |
| SCHEMBL6101995 | 0.89 | HTR1D (0.84) | HTR1DHTR1BHTR1AHTR2ASLC6A4 | |
| SCHEMBL6101776 | 0.87 | HTR1D (0.61) | HTR1DHTR1BHTR1ATP53LMNA | |
| SCHEMBL6101016 | 0.86 | HTR1D (0.56) | HTR1DHTR1BPDK1PDK2PDK3 | |
| SCHEMBL6101864 | 0.85 | HTR1D (0.63) | HTR1DHTR1BALDH1A1HTR1AXIAP | |
| SCHEMBL6102080 | 0.82 | HTR1D (0.59) | HTR1DHTR1BHTR1AXIAPBIRC2 | |
| SCHEMBL6100069 | 0.81 | HTR1D (0.44) | HTR1DHTR1BPDK1PDK2PDK3 | |
| SCHEMBL6166896 | 0.81 | HTR1D (0.44) | HTR1DHTR1BPDK1PDK2PDK3 | |
| SCHEMBL6101634 | 0.80 | HTR1D (0.57) | HTR1DHTR1BALDH1A1HTR1AXIAP | |
| SCHEMBL6100063 | 0.79 | HTR1B (0.75) | HTR1DHTR1BHTR1A |
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-7109201-B2 | Piperazine derivatives, their preparation and uses in therapy | SMITHKLINE BEECHAM PLC (GB) | 2006-09-19 | — | — | US | claimed |