Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.40 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | PRKDC | P78527 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8812936 | 0.84 | ALDH1A1 (0.37) | ALDH1A1CYP3A4KDM4EPRKDCTDP1 | |
| SCHEMBL8811223 | 0.81 | TDP1 (0.45) | ALDH1A1MAPTCYP3A4TDP1LMNA | |
| SCHEMBL8811978 | 0.79 | GAA (0.39) | ALDH1A1CYP3A4KDM4EHSD17B10TDP1 | |
| SCHEMBL8813294 | 0.77 | MAPT (0.37) | ALDH1A1MAPTCYP3A4TDP1LMNA | |
| SCHEMBL8809443 | 0.76 | PKM (0.35) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL8809338 | 0.74 | ERN1 (0.39) | ALDH1A1MAPTKDM4ELMNAHPGD | |
| SCHEMBL8810946 | 0.74 | TRPV4 (0.38) | ALDH1A1LMNAHPGDHTT | |
| SCHEMBL8811250 | 0.74 | ALDH1A1 (0.43) | ALDH1A1MAPTCYP3A4HSD17B10TDP1 | |
| SCHEMBL8813933 | 0.73 | TP53 (0.39) | MAPTCYP3A4KDM4ELMNAHTT | |
| SCHEMBL8809704 | 0.70 | CTSA (0.42) | ALDH1A1MAPTKDM4ETDP1LMNA |
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 |