Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9785086 | 0.85 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL10586796 | 0.84 | CYP1A2 (0.35) | CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL9784959 | 0.76 | NPC1 (0.37) | CYP3A4POLB | |
| SCHEMBL9785024 | 0.74 | CYP2D6 (0.51) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 | |
| SCHEMBL9784966 | 0.72 | DPP7 (0.48) | POLB | |
| Hydrochloric Acid SCHEMBL6895748 | 0.72 | CYP3A4 (0.53) | CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL8670811 | 0.70 | SIGMAR1 (0.54) | CYP1A2CYP3A4CYP2D6PRMT1 | |
| SCHEMBL9298906 | 0.68 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6PRMT1POLB | |
| Hydrochloric Acid SCHEMBL27538258 | 0.67 | CYP3A4 (0.50) | CYP1A2CYP3A4CYP2D6PRMT1POLB | |
| SCHEMBL10136448 | 0.66 | CYP2D6 (0.55) | CYP1A2CYP3A4CYP2D6PRMT1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5071636-A | Polyaminedithiol compounds; nuclear imaging of regional cerebral blood flow | NIHON MEDI-PHYSICS CO., LTD. (JP) | 1991-12-10 | — | — | US | disclosed |
| EP-0322876-A2 | Chelating compounds and their use | NIHON MEDI-PHYSICS CO., LTD. (JP) | 1989-07-05 | — | — | EP | disclosed |