Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.51 |
| ▸ | CTSS | P25774 | 3/20 | 0.51 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7729227 | 0.93 | CTSK (0.55) | CTSKCTSSATMCA12CA1 | |
| SCHEMBL7375068 | 0.93 | CTSK (0.55) | CTSKCTSSATMCA12CA1 | |
| SCHEMBL7696221 | 0.91 | CTSK (0.59) | CTSKCTSSATMCA12CA1 | |
| SCHEMBL3842588 | 0.91 | CTSK (0.59) | CTSKCTSSATMCA12CA1 | |
| SCHEMBL14338698 | 0.91 | CTSK (0.59) | CTSKCTSSATMCA12CA1 | |
| SCHEMBL7375634 | 0.84 | CTSK (0.53) | CTSKCTSSATMCA12CA1 | |
| SCHEMBL7375641 | 0.84 | CTSK (0.53) | CTSKCTSSATMCA12CA1 | |
| SCHEMBL13198524 | 0.83 | ATM (0.55) | CTSKCTSSATMSYKCTSL | |
| SCHEMBL7512127 | 0.83 | CTSK (0.52) | CTSKCTSSATMCA12CA1 | |
| SCHEMBL7512122 | 0.83 | CTSK (0.52) | CTSKCTSSATMCA12CA1 |
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-5776718-A | Reversible protease inhibitors | ARRIS PHARMACEUTICAL CORPORATION (US) | 1998-07-07 | — | — | US | disclosed |
| EP-0817778-A1 | REVERSIBLE PROTEASE INHIBITORS | ARRIS PHARMACEUTICAL CORPORATION (US) | 1998-01-14 | — | — | EP | disclosed |
| WO-1996030353-A1 | REVERSIBLE PROTEASE INHIBITORS | ARRIS PHARMACEUTICAL CORPORATION (US) | 1996-10-03 | — | — | WO | disclosed |