Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.31 |
| ▸ | TUBB | P07437 | 1/20 | 0.31 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.31 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.31 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.31 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.31 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.31 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8810408 | 0.80 | CA12 (0.30) | — | |
| SCHEMBL8813041 | 0.76 | ALDH1A1 (0.40) | MAPTKDM4EALDH1A1CYP3A4ALOX15 | |
| SCHEMBL8809472 | 0.75 | ERN1 (0.37) | MAPTKDM4EALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL8811223 | 0.72 | TDP1 (0.45) | MAPTALDH1A1CYP3A4TDP1BLM | |
| SCHEMBL8812936 | 0.71 | ALDH1A1 (0.37) | KDM4EALDH1A1CYP3A4PRKDCTDP1 | |
| SCHEMBL9694935 | 0.71 | PKM (0.54) | PKMMAPTKDM4EALDH1A1CYP3A4 | |
| SCHEMBL8813294 | 0.70 | MAPT (0.37) | PKMMAPTALDH1A1CYP3A4TDP1 | |
| SCHEMBL9348700 | 0.68 | PKM (0.65) | PKMMAPTKDM4EALDH1A1CYP3A4 | |
| SCHEMBL8811978 | 0.67 | GAA (0.39) | PKMKDM4EALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL8813933 | 0.66 | TP53 (0.39) | MAPTKDM4ECYP3A4HTTMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997000872-A1 | 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 1997-01-09 | — | — | WO | disclosed |