Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 12/20 | 0.64 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11547475 | 0.91 | ADRB2 (0.76) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL11548614 | 0.90 | ADRB2 (0.74) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL11549325 | 0.83 | ADRB2 (0.71) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL11550250 | 0.79 | ADRB3 (0.65) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| Acetonitrile SCHEMBL11575978 | 0.77 | ADRB2 (0.61) | ADRB2ADRB1HIF1ATDP1 | |
| SCHEMBL11670211 | 0.77 | ADRB2 (0.63) | ADRB2ADRB1PMP22 | |
| SCHEMBL11548250 | 0.77 | ADRB2 (0.64) | ADRB2ADRB1CYP1A2CYP2D6TSHR | |
| SCHEMBL9481583 | 0.77 | ADRB2 (0.62) | ADRB2ADRB1CYP2D6TSHRHIF1A | |
| Acetonitrile SCHEMBL11576215 | 0.76 | ADRB2 (0.60) | ADRB2ADRB1HIF1ATDP1 | |
| SCHEMBL11553314 | 0.76 | DPP4 (0.38) | ADRB2ADRB1CYP1A2TSHRHIF1A |
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-4148908-A | BRONCHODILATORS | MEAD JOHNSON & COMPANY (US) | 1979-04-10 | — | — | US | disclosed |
| US-4055658-A | BETA-ADRENERGIC STIMULANTS, BRONCHIAL | MEAD JOHNSON & COMPANY (US) | 1977-10-25 | — | — | US | disclosed |