Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | CTSG | P08311 | 1/20 | 0.35 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7323779 | 0.90 | ADORA3 (0.43) | CYP3A4CYP2D6CYP2C19ADORA3TOP2A | |
| SCHEMBL7322396 | 0.82 | ALDH1A1 (0.45) | TOP2AALDH1A1MCL1POLBPRSS1 | |
| SCHEMBL7323307 | 0.81 | CYP1A2 (0.39) | CYP3A4CYP2C19TOP2AALDH1A1MCL1 | |
| SCHEMBL8836853 | 0.77 | HPGD (0.46) | ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL7321950 | 0.76 | PPARG (0.42) | ALDH1A1POLB | |
| SCHEMBL7322908 | 0.76 | PTGS2 (0.43) | ALDH1A1POLBMEN1KMT2A | |
| SCHEMBL7334498 | 0.75 | CYP1A2 (0.39) | CYP3A4CYP2C19ALDH1A1MCL1MEN1 | |
| SCHEMBL7332456 | 0.74 | HDAC8 (0.46) | — | |
| SCHEMBL7326028 | 0.74 | MAPT (0.41) | ALDH1A1NPSR1MCL1POLBMEN1 | |
| SCHEMBL7326942 | 0.74 | KMT2A (0.41) | TOP2AALDH1A1MEN1KMT2A |
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-5674863-A | BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR | GENENTECH, INC. (US) | 1997-10-07 | — | — | US | disclosed |
| US-5674865-A | BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR | GENENTECH, INC. (US) | 1997-10-07 | — | — | US | disclosed |