Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TOP1 | P11387 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | PRKDC | P78527 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8811978 | 0.88 | GAA (0.39) | ALDH1A1TSHRKDM4ETDP1GAA | |
| SCHEMBL8813041 | 0.84 | ALDH1A1 (0.40) | ALDH1A1KDM4ETDP1SMN1; SMN2PRKDC | |
| SCHEMBL8809338 | 0.82 | ERN1 (0.39) | ALDH1A1KDM4EKMT2A | |
| SCHEMBL8811250 | 0.82 | ALDH1A1 (0.43) | ALDH1A1TDP1KMT2ACA12CA1 | |
| SCHEMBL8810946 | 0.82 | TRPV4 (0.38) | ALDH1A1KMT2A | |
| SCHEMBL8813933 | 0.81 | TP53 (0.39) | TSHRKDM4EKMT2ACA12CA1 | |
| SCHEMBL8809704 | 0.78 | CTSA (0.42) | ALDH1A1KDM4ETDP1GAAKMT2A | |
| SCHEMBL8811223 | 0.77 | TDP1 (0.45) | ALDH1A1TDP1KMT2ASMN1; SMN2CYP3A4 | |
| SCHEMBL8602614 | 0.77 | AGER (0.40) | ALDH1A1TSHRKDM4EGAAKMT2A | |
| SCHEMBL8809472 | 0.77 | ERN1 (0.37) | ALDH1A1KDM4EGAAKMT2ACYP3A4 |
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 |