Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 3/20 | 0.49 |
| ▸ | CTSS | P25774 | 3/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | RORC | P51449 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CPB1 | P15086 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7440294 | 1.00 | CTSB (0.49) | CTSBCTSSCTSLALDH1A1GAA | |
| SCHEMBL648013 | 0.79 | CTSB (0.48) | CTSBCTSSCTSLALDH1A1GAA | |
| SCHEMBL17144863 | 0.79 | CTSS (0.43) | CTSBCTSSCTSLALDH1A1GAA | |
| SCHEMBL31644278 | 0.79 | CYP3A4 (0.49) | CTSBCTSSCTSLALDH1A1GAA | |
| SCHEMBL31644660 | 0.79 | CYP3A4 (0.49) | CTSBCTSSCTSLALDH1A1GAA | |
| SCHEMBL31644337 | 0.79 | CYP3A4 (0.49) | CTSBCTSSCTSLALDH1A1GAA | |
| SCHEMBL18793707 | 0.78 | CTSB (0.55) | CTSBCTSSCTSLALDH1A1GAA | |
| SCHEMBL14743992 | 0.78 | CTSL (0.54) | CTSBCTSSCTSLALDH1A1GAA | |
| SCHEMBL19040173 | 0.78 | CTSB (0.47) | CTSBCTSSCTSLALDH1A1GAA | |
| SCHEMBL18069841 | 0.78 | CTSB (0.47) | CTSBCTSSCTSLALDH1A1GAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0538332-B1 | POLYCYCLIC GUANINE DERIVATIVES | SCHERING CORP (US) | 1997-07-23 | — | — | EP | disclosed |
| US-5393755-A | Hypotensive agents, enzyme inhibitors | SCHERING CORPORATION (US) | 1995-02-28 | — | — | US | disclosed |
| EP-0538332-A1 | POLYCYCLIC GUANINE DERIVATIVES. | SCHERING CORP (US) | 1993-04-28 | — | — | EP | disclosed |
| WO-1991019717-A1 | POLYCYCLIC GUANINE DERIVATIVES | SCHERING CORPORATION (US) | 1991-12-26 | — | — | WO | disclosed |