Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 3/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13478009 | 0.85 | ADRB2 (0.53) | ADRB2HDAC1HDAC8HDAC6CLK4 | |
| SCHEMBL17832896 | 0.83 | ADRB2 (0.52) | ADRB2HDAC1HDAC8HDAC6CLK4 | |
| SCHEMBL17832899 | 0.83 | ADRB2 (0.45) | ADRB2HDAC1HDAC8HDAC6CLK4 | |
| SCHEMBL23838714 | 0.81 | ADRB2 (0.50) | ADRB2HDAC1HDAC8HDAC6CLK4 | |
| SCHEMBL16741453 | 0.76 | LOXL2 (0.45) | HTTALDH1A1SMN1; SMN2RAB9ALATS1 | |
| SCHEMBL7316409 | 0.76 | IDO1 (0.46) | HTTKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6747065 | 0.74 | CYP1A2 (0.43) | HTTKDM4EALDH1A1CYP1A2MAPT | |
| SCHEMBL16741775 | 0.72 | MAOA (0.47) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL19750575 | 0.72 | ADRB2 (0.59) | ADRB2HDAC1CLK4SMN1; SMN2 | |
| SCHEMBL23838669 | 0.72 | ADRB2 (0.58) | ADRB2HDAC1HDAC8HDAC6CLK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3230254-B1 | COMPOSITIONS AND METHODS FOR TREATING DISEASES AND CONDITIONS | UNIV PITTSBURGH COMMONWEALTH SYS HIGHER EDUCATION (US) | 2021-09-22 | — | — | EP | disclosed |