Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11648747 | 0.87 | CYP1A2 (0.62) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL11650922 | 0.84 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL4205954 | 0.83 | CYP1A2 (0.76) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL11646686 | 0.80 | CYP1A2 (0.66) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL11650481 | 0.78 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL2565795 | 0.77 | CYP1A2 (1.00) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL11649297 | 0.76 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL11650702 | 0.76 | MAPK1 (0.65) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL11642952 | 0.76 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19LMNAHPGD | |
| SCHEMBL11650063 | 0.76 | CYP1A2 (0.60) | CYP1A2CYP2C9CYP2C19LMNAHPGD |
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-4070366-A | RING ALKYLATION OF SUBSTITUTED PYRROLES, ONE STEP | CANADIAN PATENTS & DEVELOPMENT LIMITED (US) | 1978-01-24 | — | — | US | disclosed |