Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11723044 | 0.88 | AR (0.44) | KDM4EKMT2AMEN1ALDH1A1ADORA1 | |
| SCHEMBL11716661 | 0.84 | ALDH1A1 (0.35) | KMT2AMEN1ALDH1A1PDE2AHTT | |
| SCHEMBL11801511 | 0.77 | KMT2A (0.38) | KDM4EKMT2AMEN1ADORA1ADORA2A | |
| SCHEMBL30681004 | 0.77 | ADORA1 (0.47) | KDM4EKMT2AALDH1A1ADORA1ADORA2A | |
| SCHEMBL11726649 | 0.77 | KDM4E (0.39) | KDM4EKMT2AMEN1ALDH1A1ADORA1 | |
| SCHEMBL3320128 | 0.76 | KDM4E (0.64) | KDM4EKMT2AMEN1ALDH1A1ADORA1 | |
| SCHEMBL11721081 | 0.71 | ALDH1A1 (0.50) | KDM4EKMT2AMEN1ALDH1A1HTT | |
| SCHEMBL11724059 | 0.70 | FABP4 (0.43) | KDM4EKMT2AMEN1ALDH1A1ADORA1 | |
| SCHEMBL13622759 | 0.67 | KDM4E (0.57) | KDM4EKMT2AADORA1ADORA2A | |
| SCHEMBL11718448 | 0.67 | KDM4E (0.53) | KDM4EKMT2AALDH1A1ADORA1ADORA2A |
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-4031103-A | BRONCHODILATOR AGENTS, 2,6-DIAMINOPYRIDINE, DIKETONE COMPOUND | MERCK SHARP & DOHME (I.A.) CORPORATION (US) | 1977-06-21 | — | — | US | disclosed |
| US-3962262-A | HYPOTENSIVE AGENTS, BRONCHODILATORS | MERCK & CO., INC. (US) | 1976-06-08 | — | — | US | disclosed |