Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.43 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5630 | 0.92 | MEN1 (0.48) | ALDH1A1KMT2AMEN1MAPTNPC1 | |
| SCHEMBL11433 | 0.84 | TDP1 (0.43) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11238 | 0.84 | TDP1 (0.43) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10941 | 0.84 | TDP1 (0.43) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12818771 | 0.81 | TDP1 (0.40) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10498244 | 0.74 | HSPB1 (0.49) | ALDH1A1KMT2AMEN1MAPTNPC1 | |
| SCHEMBL8020422 | 0.74 | ALDH1A1 (0.69) | ALDH1A1KMT2APKMMEN1MAPT | |
| SCHEMBL21633908 | 0.74 | MEN1 (0.51) | ALDH1A1KMT2AMEN1MAPTNPC1 | |
| SCHEMBL9320810 | 0.73 | MEN1 (0.54) | ALDH1A1KMT2AMEN1MAPTNPC1 | |
| SCHEMBL554299 | 0.73 | ALDH1A1 (0.75) | ALDH1A1KMT2APKMMEN1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2488493-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. Hoffmann-La Roche AG (CH) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011045292-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | WO | disclosed |