Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 6/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | MTOR | P42345 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9769364 | 1.00 | ADRB2 (0.33) | ADRB2ADRB1ADRB3MAPTTSHR | |
| SCHEMBL9769349 | 1.00 | ADRB2 (0.33) | ADRB2ADRB1ADRB3MAPTTSHR | |
| SCHEMBL9769352 | 1.00 | ADRB2 (0.33) | ADRB2ADRB1ADRB3MAPTTSHR | |
| SCHEMBL9769376 | 0.87 | ADRB2 (0.46) | ADRB2ADRB1ADRB3MAPTTSHR | |
| SCHEMBL9769372 | 0.87 | ADRB2 (0.46) | ADRB2ADRB1ADRB3MAPTTSHR | |
| SCHEMBL9769278 | 0.83 | ADRB2 (0.43) | ADRB2ADRB1TSHRKDM4EMEN1 | |
| SCHEMBL9769270 | 0.83 | ADRB2 (0.43) | ADRB2ADRB1TSHRKDM4EMEN1 | |
| SCHEMBL9769407 | 0.80 | ADRB3 (0.43) | ADRB2ADRB1ADRB3 | |
| SCHEMBL9769415 | 0.80 | ADRB2 (0.35) | ADRB2ADRB1ADRB3TSHRTDP1 | |
| SCHEMBL9769411 | 0.80 | ADRB3 (0.43) | ADRB2ADRB1ADRB3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5019578-A | β-adrenergic agonists | MERCK & CO., INC. (US) | 1991-05-28 | — | — | US | disclosed |
| EP-0318092-A2 | Novel beta-adrenergic agonists | MERCK & CO. INC. (US) | 1989-05-31 | — | — | EP | disclosed |