Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 10/20 | 0.64 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.56 |
| ▸ | NMT2 | O60551 | 1/20 | 0.56 |
| ▸ | NMT1 | P30419 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10970320 | 0.87 | ADRB2 (0.53) | ADRB2ADRB1ADRB3NMT2NMT1 | |
| SCHEMBL11757611 | 0.83 | LMNA (0.49) | ADRB2CYP1A2KDM4EALDH1A1HSD17B10 | |
| SCHEMBL11749742 | 0.83 | LMNA (0.54) | ADRB2ADRB1ADRB3NMT2NMT1 | |
| SCHEMBL11748633 | 0.77 | CA2 (0.53) | ADRB2ADRB1ADRB3CYP2D6MEN1 | |
| SCHEMBL9536144 | 0.76 | TP53 (0.62) | ADRB2ADRB1ADRB3CYP1A2CYP2D6 | |
| SCHEMBL11751200 | 0.76 | ADRB2 (0.50) | ADRB2ADRB1ADRB3NMT2NMT1 | |
| SCHEMBL11751598 | 0.76 | ADRB2 (0.60) | ADRB2ADRB1ADRB3NMT2NMT1 | |
| Hydrochloric Acid SCHEMBL9586986 | 0.76 | TP53 (0.61) | ADRB2ADRB1ADRB3CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11755140 | 0.75 | ADRB2 (0.49) | ADRB2ADRB1ADRB3NMT2NMT1 | |
| SCHEMBL11870445 | 0.74 | MAPT (0.78) | ADRB2ADRB1ADRB3CYP1A2CYP2D6 |
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-4056626-A | ADRENERGIC BLOCKING AGENTS | KAKENYAKU KAKO CO., LTD. (JA) | 1977-11-01 | — | — | US | claimed |
| US-4056626-A | ADRENERGIC BLOCKING AGENTS | KAKENYAKU KAKO CO., LTD. (JA) | 1977-11-01 | — | — | US | disclosed |