Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL10069574 | 0.95 | PTGER4 (0.45) | ADRB2ADRB1ADRB3POLBGFER | |
| SCHEMBL1568650 | 0.93 | ADRB2 (0.54) | ADRB2ADRB1ADRB3POLBGFER | |
| SCHEMBL10068535 | 0.92 | CA12 (0.49) | ADRB2ADRB1ADRB3POLBGFER | |
| SCHEMBL10069315 | 0.91 | ADRB1 (0.43) | ADRB2ADRB1ADRB3POLBGFER | |
| SCHEMBL10069566 | 0.90 | ADRB1 (0.45) | ADRB2ADRB1ADRB3POLBGFER | |
| SCHEMBL10068713 | 0.88 | ADRB3 (0.49) | ADRB2ADRB1ADRB3MAPTSLC6A3 | |
| SCHEMBL8993085 | 0.88 | ADRB3 (0.50) | ADRB2ADRB1ADRB3POLBGFER | |
| SCHEMBL10069045 | 0.87 | ADORA3 (0.43) | ADRB2ADRB1ADRB3POLBGFER | |
| SCHEMBL10068720 | 0.86 | BRD4 (0.53) | ADRB2ADRB1ADRB3MAPTMEN1 | |
| SCHEMBL10069336 | 0.86 | SLC6A3 (0.43) | ADRB2ADRB1ADRB3POLBGFER |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012019428-A1 | BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-02-16 | — | — | WO | disclosed |