Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 5/20 | 0.45 |
| ▸ | MME | P08473 | 3/20 | 0.45 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1256471 | 0.86 | AGTR1 (0.46) | AGTR1MMEAGTR2PPARGABCB11 | |
| SCHEMBL1256473 | 0.86 | AGTR1 (0.46) | AGTR1MMEAGTR2PPARGABCB11 | |
| SCHEMBL3665032 | 0.81 | AGTR1 (0.57) | AGTR1AGTR2 | |
| SCHEMBL3663040 | 0.77 | AGTR1 (0.41) | AGTR1MMEAGTR2LTB4R2 | |
| SCHEMBL1257867 | 0.75 | ACHE (0.45) | AGTR1MMEAGTR2PPARGABCB11 | |
| SCHEMBL1257865 | 0.75 | ACHE (0.45) | AGTR1MMEAGTR2PPARGABCB11 | |
| SCHEMBL16290091 | 0.75 | AGTR1 (0.49) | AGTR1MMEAGTR2PPARGABCB11 | |
| SCHEMBL1258934 | 0.74 | AGTR1 (0.49) | AGTR1MMEAGTR2 | |
| SCHEMBL19596566 | 0.74 | AGTR1 (0.49) | AGTR1MMEAGTR2 | |
| SCHEMBL1108609 | 0.74 | AGTR1 (0.49) | AGTR1MMEAGTR2 |
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-2146963-A2 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | Theravance, Inc. (US) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008133896-A2 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2008-11-06 | — | — | WO | disclosed |