Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PTPRB | P23467 | 1/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 3/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8667666 | 0.90 | CTSS (0.49) | CTSSCTSKCYP4F2CYP4A11LMNA | |
| SCHEMBL8667664 | 0.90 | CTSS (0.49) | CTSSCTSKKLK5PPARAPPARG | |
| SCHEMBL31724481 | 0.86 | CTSS (0.48) | CTSSCTSKKLK5PPARAPPARG | |
| SCHEMBL8666252 | 0.82 | MAPT (0.45) | CTSSCTSKMAPTSMN1; SMN2KLK5 | |
| SCHEMBL21787641 | 0.82 | CYP4A11 (0.46) | CTSSCTSKCYP4F2CYP4A11KLK5 | |
| SCHEMBL1554122 | 0.82 | CTSS (0.48) | CTSSCTSKMAPTKLK5 | |
| SCHEMBL1554126 | 0.82 | CTSS (0.48) | CTSSCTSKMAPTKLK5 | |
| SCHEMBL2582580 | 0.82 | CTSS (0.48) | CTSSCTSKMAPTKLK5 | |
| SCHEMBL14254331 | 0.82 | CTSS (0.48) | CTSSCTSKMAPTKLK5ALDH1A1 | |
| SCHEMBL1525552 | 0.81 | S1PR3 (0.52) | CTSSCTSKLMNAMAPTALDH1A1 |
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-5747499-A | CYCLOPENTAQUINAZOLINE COMPOUNDS CYCLOPENTAQUINAZOLINE COMPOUNDS | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1998-05-05 | — | — | US | disclosed |
| EP-0758328-A1 | ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING | BTG INTERNATIONAL LIMITED (GB) | 1997-02-19 | — | — | EP | disclosed |
| WO-1995030673-A1 | ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1995-11-16 | — | — | WO | disclosed |