Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 2/20 | 0.43 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL4313451 | 0.94 | KDM4E (0.39) | ADRB1CYP1A2CYP3A4USP2CYP2C19 | |
| SCHEMBL4315672 | 0.94 | ADRB1 (0.52) | ADRB1CYP1A2CYP3A4USP2CYP2C19 | |
| SCHEMBL7476206 | 0.91 | ADRB1 (0.51) | ADRB1CYP1A2CYP3A4USP2CYP2C19 | |
| SCHEMBL2640084 | 0.88 | CHRNB2 (0.49) | ADRB1CYP1A2CYP3A4USP2CYP2C19 | |
| SCHEMBL4308724 | 0.85 | EPHX2 (0.40) | ADRB1HTR6HTR1AHTR2C | |
| SCHEMBL4326917 | 0.85 | HTR2C (0.39) | HTR2C | |
| SCHEMBL4309052 | 0.85 | ADRB1 (0.50) | ADRB1CYP1A2CYP3A4USP2CYP2C19 | |
| SCHEMBL4312805 | 0.85 | HTR6 (0.48) | ADRB1CYP1A2CYP3A4USP2CYP2C19 | |
| SCHEMBL4320133 | 0.84 | HTR2C (0.42) | ADRB1CYP1A2CYP3A4USP2CYP2C19 | |
| SCHEMBL4324680 | 0.84 | HTR6 (0.39) | HTR6HTR2CALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1178973-A2 | NOVEL COMPOUNDS, THEIR USE AND PREPARATION | Pharmacia AB (SE) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000076984-A2 | NOVEL COMPOUNDS, THEIR USE AND PREPARATION | BIOVITRUM AB (SE) | 2000-12-21 | — | — | WO | disclosed |