Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL7418647 | 1.00 | CYP3A4 (0.45) | CYP3A4MAPTMAPK1L3MBTL1NOS1 | |
| SCHEMBL7419774 | 0.88 | MAPK1 (0.58) | CYP3A4MAPTMAPK1L3MBTL1NOS1 | |
| SCHEMBL7419779 | 0.88 | MAPK1 (0.58) | CYP3A4MAPTMAPK1L3MBTL1NOS1 | |
| SCHEMBL7359502 | 0.82 | MAPK1 (0.58) | CYP3A4MAPTMAPK1L3MBTL1TACR1 | |
| SCHEMBL7359506 | 0.82 | MAPK1 (0.58) | CYP3A4MAPTMAPK1L3MBTL1TACR1 | |
| Bromide SCHEMBL7418358 | 0.81 | MAPK1 (0.57) | CYP3A4MAPTMAPK1L3MBTL1TACR1 | |
| Bromide SCHEMBL7418359 | 0.81 | MAPK1 (0.57) | CYP3A4MAPTMAPK1L3MBTL1TACR1 | |
| SCHEMBL22075838 | 0.80 | MAPK1 (0.53) | CYP3A4MAPTMAPK1L3MBTL1POLB | |
| SCHEMBL15080871 | 0.74 | TACR1 (0.68) | TYRTACR1CTSLCTSBCTSS | |
| SCHEMBL7423663 | 0.72 | L3MBTL1 (0.65) | CYP3A4MAPTMAPK1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0815103-A1 | TRYPSIN AND THROMBIN INHIBITORS | Novartis AG (CH) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996029327-A1 | TRYPSIN AND THROMBIN INHIBITORS | NOVARTIS AG (CH) | 1996-09-26 | — | — | WO | disclosed |