Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | F7 | P08709 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | F3 | P13726 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11620399 | 0.82 | ACHE (0.51) | ACHEPARP1HDAC6S100A4HTR2A | |
| SCHEMBL11648743 | 0.82 | ACHE (0.51) | ACHEPARP1PARP10HDAC6NOTUM | |
| SCHEMBL11616787 | 0.82 | ACHE (0.51) | ACHEHDAC6 | |
| SCHEMBL11653727 | 0.82 | TDP1 (0.53) | ACHEPARP1PARP10HDAC6S100A4 | |
| SCHEMBL11618646 | 0.82 | ACHE (0.48) | ACHEHDAC6 | |
| SCHEMBL11617563 | 0.80 | ACHE (0.49) | ACHEHDAC6 | |
| SCHEMBL4037463 | 0.80 | ACHE (0.54) | ACHEHDAC6 | |
| SCHEMBL11617222 | 0.79 | ACHE (0.48) | ACHEHDAC6HTR2AHTR2C | |
| SCHEMBL11617884 | 0.79 | ACHE (0.48) | ACHEHDAC6HTR2AHTR2CHTR2B | |
| SCHEMBL11618948 | 0.79 | ACHE (0.48) | ACHEPARP1PARP10DRD3HDAC6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4075225-A | Pyrrolo[2,1-b][3]benzazepines | MERCK & CO., INC. (US) | 1978-02-21 | — | — | US | claimed |
| 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 |