Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 3/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.73 |
| ▸ | MEN1 | O00255 | 1/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.73 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.73 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.73 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.73 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.73 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.73 |
| ▸ | GAA | P10253 | 1/20 | 0.71 |
| ▸ | BLM | P54132 | 1/20 | 0.71 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.71 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.71 |
| ▸ | NPY1R | P25929 | 1/20 | 0.63 |
| ▸ | NPY2R | P49146 | 1/20 | 0.63 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL27269037 | 0.90 | ADRB1 (0.60) | ADRB1CYP2D6LMNAMEN1CYP1A2 | |
| SCHEMBL11856247 | 0.90 | ADRB1 (0.76) | ADRB1CYP2D6LMNAMEN1CYP1A2 | |
| SCHEMBL13148928 | 0.90 | ADRB2 (0.71) | ADRB1CYP2D6LMNAADRB2NR3C1 | |
| SCHEMBL10739631 | 0.87 | ADRB1 (0.76) | ADRB1CYP2D6LMNAMEN1CYP1A2 | |
| SCHEMBL220354 | 0.87 | ADRB1 (0.76) | ADRB1CYP2D6LMNAMEN1CYP1A2 | |
| SCHEMBL13204479 | 0.87 | ADRB2 (0.75) | ADRB1CYP2D6LMNACYP1A2ADRB2 | |
| SCHEMBL10791057 | 0.85 | ADRB1 (0.73) | ADRB1CYP2D6LMNAMEN1CYP1A2 | |
| SCHEMBL10789731 | 0.85 | ADRB1 (0.70) | ADRB1CYP2D6LMNAMEN1CYP1A2 | |
| Betaxolol SCHEMBL4997902 | 0.84 | ADRB1 (1.00) | ADRB1CYP2D6LMNAMEN1CYP1A2 | |
| Hydrochloric Acid SCHEMBL10794904 | 0.84 | ADRB1 (0.72) | ADRB1CYP2D6LMNAMEN1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111110854-A | Composition comprising a histamine release-promoting substance and an inhibitory compound | 黄泳华 | 2020-05-08 | — | — | CN | claimed |
| CN-111110854-A | Composition comprising a histamine release-promoting substance and an inhibitory compound | 黄泳华 | 2020-05-08 | — | — | CN | disclosed |