Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.58 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.40 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | BAD | Q92934 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7471201 | 0.98 | PARP1 (0.57) | PARP1GFERRORCCXCR5FABP4 | |
| SCHEMBL984448 | 0.95 | PARP1 (0.60) | PARP1GFERRORCCXCR5ALDH1A1 | |
| SCHEMBL30251654 | 0.95 | PARP1 (0.60) | PARP1GFERRORCCXCR5ALDH1A1 | |
| SCHEMBL729580 | 0.88 | PARP1 (0.74) | PARP1RORCFABP4ALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL7265489 | 0.86 | PARP1 (0.72) | PARP1RORCFABP4ALDH1A1ALOX15 | |
| SCHEMBL17978285 | 0.80 | PARP1 (0.84) | PARP1ALOX15 | |
| SCHEMBL18665581 | 0.80 | PARP1 (0.58) | PARP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL17978158 | 0.79 | PARP1 (0.81) | PARP1ALOX15 | |
| SCHEMBL11094419 | 0.77 | PARP1 (0.49) | PARP1ALDH1A1ALOX15 | |
| SCHEMBL21316384 | 0.76 | PARP1 (0.54) | PARP1MEN1KMT2AALDH1A1L3MBTL1 |
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-4924010-A | GASTROINTESTINAL DISORDERS | RORER PHARMACEUTICAL CORPORATION (US) | 1990-05-08 | — | — | US | disclosed |
| US-4859683-A | Certain benzoxepins and their pharmaceutical compositions and methods | RORER PHARMACEUTICAL CORPORATION (US) | 1989-08-22 | — | — | US | disclosed |
| US-4857517-A | Quinuclidyl benzoxepins as 5-HT3 antagonists | RORER PHARMACEUTICAL CORPORATION (US) | 1989-08-15 | — | — | US | disclosed |