Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | RECQL | P46063 | 3/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | PLIN1 | O60240 | 2/20 | 0.42 |
| ▸ | PLIN5 | Q00G26 | 2/20 | 0.42 |
| ▸ | ABHD5 | Q8WTS1 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11741711 | 1.00 | HDAC1 (0.42) | HDAC1LMNAMAPTRECQLHDAC3 | |
| SCHEMBL11625650 | 1.00 | HDAC1 (0.42) | HDAC1LMNAMAPTRECQLHDAC3 | |
| Trifluoroacetic Acid SCHEMBL11736488 | 0.91 | CYP2C19 (0.36) | HDAC1LMNAMAPTRECQLHDAC3 | |
| Trifluoroacetic Acid SCHEMBL11736509 | 0.91 | CYP2C19 (0.36) | HDAC1LMNAMAPTRECQLHDAC3 | |
| Trifluoroacetic Acid SCHEMBL11736493 | 0.91 | CYP2C19 (0.36) | HDAC1LMNAMAPTRECQLHDAC3 | |
| SCHEMBL11736500 | 0.77 | MAOB (0.33) | HDAC1LMNAMAPTRECQLHDAC3 | |
| SCHEMBL4230925 | 0.75 | TDP1 (0.43) | HDAC1LMNAMAPTRECQLHDAC4 | |
| SCHEMBL27831906 | 0.75 | ALDH1A1 (0.44) | HDAC1LMNAMAPTRECQLHDAC3 | |
| SCHEMBL25364773 | 0.73 | MAOB (0.41) | HDAC1LMNAMAPTRECQLHDAC3 | |
| SCHEMBL1664457 | 0.73 | POLB (0.42) | HDAC1LMNAMAPTRECQLHDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| 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-4075225-A | Pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1978-02-21 | — | — | US | disclosed |
| US-4056536-A | CHEMICAL INTERMEDIATES | MERCK & CO., INC. (US) | 1977-11-01 | — | — | US | disclosed |
| US-4056536-A | CHEMICAL INTERMEDIATES | MERCK & CO., INC. (US) | 1977-11-01 | — | — | US | disclosed |