Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2517168 | 1.00 | MAOB (0.48) | MAOBTRPA1ALDH1A1LMNANFE2L2 | |
| SCHEMBL2517164 | 1.00 | MAOB (0.48) | MAOBTRPA1ALDH1A1LMNANFE2L2 | |
| SCHEMBL16347326 | 0.74 | MAOB (0.38) | MAOBTRPA1ALDH1A1LMNANFE2L2 | |
| SCHEMBL16347324 | 0.74 | MAOB (0.38) | MAOBTRPA1ALDH1A1LMNANFE2L2 | |
| SCHEMBL6482055 | 0.74 | RELA (0.57) | ALDH1A1LMNAMAPTSMN1; SMN2MEN1 | |
| SCHEMBL2499169 | 0.74 | HSD17B3 (0.50) | MAOBALDH1A1MAOACYP2D6MAPT | |
| SCHEMBL8927292 | 0.74 | TBXAS1 (0.48) | MAOBCYP19A1CYP1A2CYP2D6MAPT | |
| SCHEMBL2847392 | 0.74 | ALDH1A1 (0.39) | MAOBTRPA1ALDH1A1LMNANFE2L2 | |
| SCHEMBL25364773 | 0.73 | MAOB (0.41) | MAOBTRPA1ALDH1A1LMNANFE2L2 | |
| SCHEMBL28546334 | 0.72 | MAOB (0.50) | MAOBTRPA1ALDH1A1LMNANFE2L2 |
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-4112112-A | Pyrrolo[2,1-b] [3]benzazepines useful for producing a skeletal muscle relaxing or tranquilizing effect | MERCK & CO., INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4056536-A | CHEMICAL INTERMEDIATES | MERCK & CO., INC. (US) | 1977-11-01 | — | — | US | disclosed |