Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL11848572 | 0.96 | ALDH1A1 (0.50) | ALDH1A1HSD11B1HSD11B2CTDSP1KDM4E | |
| SCHEMBL15014301 | 0.96 | ALDH1A1 (0.50) | ALDH1A1HSD11B1HSD11B2CTDSP1KDM4E | |
| SCHEMBL9431032 | 0.96 | ALDH1A1 (0.50) | ALDH1A1HSD11B1HSD11B2CTDSP1KDM4E | |
| Cyclopentane SCHEMBL2308133 | 0.96 | ALDH1A1 (0.50) | ALDH1A1HSD11B1HSD11B2CTDSP1KDM4E | |
| SCHEMBL1305825 | 0.96 | ALDH1A1 (0.50) | ALDH1A1HSD11B1HSD11B2CTDSP1KDM4E | |
| SCHEMBL6682956 | 0.93 | ALDH1A1 (0.43) | ALDH1A1CTDSP1KDM4EAPOBEC3AAPOBEC3G | |
| SCHEMBL3003299 | 0.93 | ALDH1A1 (0.54) | ALDH1A1HSD11B1HSD11B2HSD17B10 | |
| SCHEMBL184348 | 0.93 | ALDH1A1 (0.54) | ALDH1A1HSD11B1HSD11B2 | |
| SCHEMBL11265164 | 0.93 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL19253228 | 0.93 | ALDH1A1 (0.54) | ALDH1A1HSD11B1HSD11B2 |
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-2004071454-A2 | SUBSTITUTED AZETIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | GUILFORD PHARMACEUTICALS INC. (US) | 2004-08-26 | — | — | WO | disclosed |