Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | KHK | P50053 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL379449 | 0.82 | ADRB1 (1.00) | ADRB1NPC1MAPTHTR2CDRD2 | |
| SCHEMBL7838014 | 0.82 | ADRB1 (1.00) | ADRB1NPC1MAPTHTR2CDRD2 | |
| SCHEMBL19288664 | 0.82 | TSHR (0.61) | ADRB1TSHRALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL30378754 | 0.82 | TSHR (0.61) | ADRB1TSHRALDH1A1SMN1; SMN2NPC1 | |
| Bromide SCHEMBL4875933 | 0.81 | ADRB1 (0.97) | ADRB1NPC1MAPTHTR2CDRD2 | |
| Hydrochloric Acid SCHEMBL1706127 | 0.81 | ADRB1 (0.97) | ADRB1NPC1MAPTHTR2CDRD2 | |
| SCHEMBL5669070 | 0.81 | ADRB1 (0.97) | ADRB1NPC1MAPTHTR2CDRD2 | |
| Hydrochloric Acid SCHEMBL7757785 | 0.81 | ADRB1 (0.97) | ADRB1NPC1MAPTHTR2CDRD2 | |
| Piperazine SCHEMBL28092166 | 0.81 | ADRB1 (0.97) | ADRB1NPC1MAPTHTR2CDRD2 | |
| Hydrochloric Acid SCHEMBL1024982 | 0.81 | ADRB1 (0.97) | ADRB1NPC1MAPTHTR2CDRD2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101243073-A | Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor | WYETH CORP (US) | 2008-08-13 | — | — | CN | disclosed |