Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | HTR1D | P28221 | 1/20 | 0.30 |
| ▸ | HTR1B | P28222 | 1/20 | 0.30 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.30 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.30 |
| ▸ | PLK1 | P53350 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11579559 | 0.90 | CYP1A2 (0.32) | CYP1A2PLAUNPC1 | |
| SCHEMBL11091737 | 0.86 | ALDH1A1 (0.40) | CYP1A2PLAUNPC1 | |
| SCHEMBL11579652 | 0.83 | CYP1A2 (0.36) | CYP1A2NPC1BCAT2PLK1 | |
| SCHEMBL11086646 | 0.83 | HTT (0.44) | CYP1A2PLAU | |
| SCHEMBL11097728 | 0.83 | CYP1A2 (0.36) | CYP1A2PLAUNPC1 | |
| SCHEMBL11583012 | 0.83 | RAB9A (0.35) | CYP1A2PLAUNPC1 | |
| SCHEMBL11420556 | 0.80 | CYP1A2 (0.36) | CYP1A2PLAUNPC1ADRA2ACYP2D6 | |
| SCHEMBL11580439 | 0.80 | CYP1A2 (0.43) | CYP1A2NPC1 | |
| Biclodil SCHEMBL1815631 | 0.79 | CYP1A2 (0.49) | CYP1A2PLAU | |
| SCHEMBL11091069 | 0.78 | ALDH1A1 (0.45) | CYP1A2PLAUNPC1ADRA2ACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-4088785-A | HYPOTENSIVE AGENTS | WILLIAM H. RORER, INC. (US) | 1978-05-09 | — | — | US | disclosed |