Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CCL2 | P13500 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL11348748 | 0.62 | BRD4 (0.41) | BRD4CCL2CYP2D6ATMHTR2A | |
| SCHEMBL8003375 | 0.62 | BRD4 (0.35) | BRD4CCL2ATMHTR2A | |
| SCHEMBL11068277 | 0.62 | BRD4 (0.35) | BRD4CCL2ATMHTR2A | |
| SCHEMBL17284105 | 0.60 | BRD4 (0.36) | BRD4CCL2ATMHTR2A | |
| SCHEMBL9674001 | 0.60 | BRD4 (0.36) | BRD4CCL2ATMHTR2A | |
| SCHEMBL10375397 | 0.60 | BRD4 (0.36) | BRD4CCL2ATMHTR2A | |
| Hydrochloric Acid SCHEMBL11111763 | 0.59 | BRD4 (0.35) | BRD4CCL2ATMHTR2A | |
| SCHEMBL5178322 | 0.59 | SRD5A1 (0.41) | BRD4CCL2CYP2D6HTR2A | |
| SCHEMBL418352 | 0.59 | BRD4 (0.38) | BRD4CCL2CYP2D6ATMHTR2A | |
| SCHEMBL7551620 | 0.59 | BRD4 (0.49) | BRD4CCL2CYP2D6ATMHTR2A |
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-4454319-A | Pyrimido[6,1-a]isoguinoline-4-one derivatives | MCNEILAB, INC. (US) | 1984-06-12 | — | — | US | disclosed |