Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.40 |
| ▸ | NPY2R | P49146 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11583098 | 1.00 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2C19POLBHTT | |
| SCHEMBL11583321 | 0.89 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C19POLBHTT | |
| SCHEMBL11583324 | 0.89 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2C19POLBHTT | |
| Hydrochloric Acid SCHEMBL11585269 | 0.88 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2C19POLBHTT | |
| Hydrochloric Acid SCHEMBL11585273 | 0.88 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2C19POLBHTT | |
| SCHEMBL11585290 | 0.87 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C19POLBHTT | |
| SCHEMBL11585295 | 0.87 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C19POLBHTT | |
| SCHEMBL11582862 | 0.79 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2C19POLBHTT | |
| SCHEMBL11582865 | 0.79 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2C19POLBHTT | |
| Hydrochloric Acid SCHEMBL11583509 | 0.78 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C19POLBHTT |
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-4107326-A | ANTIHYPERTENSIVE AGENTS, DIURETICS | AMERICAN CYANAMID COMPANY (US) | 1978-08-15 | — | — | US | disclosed |