Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 11/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | QPCT | Q16769 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7391162 | 1.00 | BRD4 (0.43) | BRD4HTR6IP6K1P2RX7DHFR | |
| SCHEMBL7385347 | 0.85 | ALDH1A1 (0.32) | BRD4 | |
| SCHEMBL7395232 | 0.85 | ALDH1A1 (0.32) | BRD4 | |
| SCHEMBL7393707 | 0.81 | BRD4 (0.46) | BRD4IP6K1 | |
| SCHEMBL7396060 | 0.81 | BRD4 (0.46) | BRD4IP6K1 | |
| SCHEMBL9029811 | 0.70 | — | — | |
| SCHEMBL9031192 | 0.70 | — | — | |
| SCHEMBL9030651 | 0.70 | — | — | |
| SCHEMBL9012956 | 0.70 | PARP1 (0.34) | — | |
| SCHEMBL7426131 | 0.70 | NPC1 (0.37) | — |
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-5589476-A | TREATMENT OF NAUSEA, VOMITING AND GASTROINTESTINAL DISORDERS | SYNTHELABO (FR) | 1996-12-31 | — | — | US | disclosed |
| EP-0646583-A1 | Derivatives of Imidezol-4-yl piperidine, their preparation and use in therapy | SYNTHELABO (FR) | 1995-04-05 | — | — | EP | disclosed |