Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 6/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 6/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6981794 | 0.78 | NOS1 (0.33) | — | |
| SCHEMBL6976829 | 0.71 | KMT2A (0.33) | ALDH1A1TSHRMEN1KMT2ACYP1A2 | |
| SCHEMBL6975534 | 0.70 | NOS3 (0.55) | — | |
| SCHEMBL14367866 | 0.67 | POLB (0.53) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL14367881 | 0.67 | POLB (0.53) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL6174128 | 0.67 | POLB (0.53) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL6974616 | 0.67 | ADRA2A (0.43) | ALDH1A1ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL6975905 | 0.67 | TSHR (0.45) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL7620647 | 0.67 | NOS1 (0.41) | — | |
| SCHEMBL6980035 | 0.66 | ALDH1A1 (0.40) | ALDH1A1TSHRMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | disclosed |
| US-6043261-A | TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS | G. D. SEARLE & CO. (US) | 2000-03-28 | — | — | US | disclosed |
| US-6011028-A | Cyclic amidino agents useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2000-01-04 | — | — | US | disclosed |
| US-5883251-A | ENZYME INHIBITORS | G. D. SEARLE & CO. (US) | 1999-03-16 | — | — | US | disclosed |