Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4065474 | 0.89 | ADRB1 (0.53) | ADRB1ALDH1A1HPGDSMN1; SMN2SLC18A3 | |
| SCHEMBL329301 | 0.80 | ADRB1 (0.67) | ADRB1ALDH1A1HPGDSMN1; SMN2SLC18A3 | |
| SCHEMBL4068610 | 0.79 | ADRB1 (0.48) | ADRB1ALDH1A1LMNAL3MBTL1TSHR | |
| SCHEMBL31468714 | 0.78 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2SLC18A3 | |
| Lithium SCHEMBL31448665 | 0.78 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2SLC18A3 | |
| SCHEMBL329640 | 0.78 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2SLC18A3 | |
| Hydrochloric Acid SCHEMBL16446848 | 0.78 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2SLC18A3 | |
| Bromide SCHEMBL7300370 | 0.78 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2SLC18A3 | |
| SCHEMBL21065768 | 0.78 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2SLC18A3 | |
| SCHEMBL2332676 | 0.78 | ADRB1 (0.64) | ADRB1ALDH1A1HPGDSMN1; SMN2SLC18A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1415986-B1 | SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | BANYU PHARMA CO LTD (JP) | 2009-04-08 | — | — | EP | disclosed |
| US-7205417-B2 | Spiro compounds | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-04-17 | — | — | US | disclosed |