Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9769330 | 0.83 | ADRB2 (0.44) | SMN1; SMN2ADRB2TSHRHIF1ACYP1A2 | |
| SCHEMBL9769397 | 0.81 | ADRB2 (0.47) | SMN1; SMN2ADRB2TSHRHIF1ACYP1A2 | |
| Hydrochloric Acid SCHEMBL9769357 | 0.80 | TDP1 (0.48) | SMN1; SMN2ADRB2TSHRHIF1ACYP1A2 | |
| Hydrochloric Acid SCHEMBL9769348 | 0.80 | TDP1 (0.48) | SMN1; SMN2ADRB2TSHRHIF1ACYP1A2 | |
| SCHEMBL19728673 | 0.77 | DEGS1 (0.54) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL9769264 | 0.77 | ALDH1A1 (0.43) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL22481335 | 0.75 | ADRB2 (0.50) | SMN1; SMN2ADRB2TSHRHIF1ACYP1A2 | |
| SCHEMBL24390978 | 0.74 | ADRB2 (0.51) | ADRB2TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL9769240 | 0.74 | ADRB2 (0.51) | SMN1; SMN2ADRB2TSHRHIF1ACYP1A2 | |
| SCHEMBL9769230 | 0.74 | ADRB2 (0.51) | SMN1; SMN2ADRB2TSHRHIF1ACYP1A2 |
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 |