Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 4/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29670166 | 0.91 | ADRB2 (0.48) | ADRB2ADRB1CYP2D6ADRB3KDM4E | |
| SCHEMBL30483437 | 0.87 | KDM1A (0.55) | ADRB2ADRB1CYP2D6ADRB3KDM4E | |
| SCHEMBL29670261 | 0.86 | ADRB1 (0.51) | ADRB2ADRB1CYP2D6ADRB3KDM4E | |
| SCHEMBL28742425 | 0.85 | ADRB2 (0.46) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL28742429 | 0.85 | ADRB2 (0.46) | ADRB2ADRB1ADRB3KMT2AMEN1 | |
| SCHEMBL29670116 | 0.85 | KDM1A (0.57) | ADRB2ADRB1CYP2D6ADRB3KDM4E | |
| SCHEMBL29670184 | 0.84 | ADRB3 (0.48) | ADRB2ADRB1ADRB3KMT2AALDH1A1 | |
| SCHEMBL29669995 | 0.84 | KDM1A (0.46) | ADRB2ADRB1CYP2D6CYP1A1CYP1A2 | |
| SCHEMBL29670104 | 0.82 | ADRB2 (0.45) | ADRB2ADRB1ADRB3KDM4EKMT2A | |
| SCHEMBL29670110 | 0.82 | ADRB1 (0.47) | ADRB2ADRB1ADRB3KDM4EKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114539129-A | Allylamine bifunctional compound and application thereof | 上海中医药大学附属龙华医院 | 2022-05-27 | — | — | CN | claimed |
| CN-114539129-B | Allylamine bifunctional compound and application thereof | 上海中医药大学附属龙华医院 | 2023-06-09 | — | — | CN | disclosed |
| CN-114539129-A | Allylamine bifunctional compound and application thereof | 上海中医药大学附属龙华医院 | 2022-05-27 | — | — | CN | disclosed |