Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14177729 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MCOLN3KMT2AHPGDCYP2D6 | |
| SCHEMBL14177730 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MCOLN3KMT2AHPGDCYP2D6 | |
| SCHEMBL14195929 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MCOLN3KMT2AHPGDCYP2D6 | |
| SCHEMBL14177728 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MCOLN3KMT2AHPGDCYP2D6 | |
| SCHEMBL19412900 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MCOLN3KMT2AHPGDCYP2D6 | |
| SCHEMBL5629867 | 0.86 | KMT2A (0.48) | ALDH1A1MCOLN3KMT2AHPGDCYP2D6 | |
| SCHEMBL5629865 | 0.86 | KMT2A (0.48) | ALDH1A1MCOLN3KMT2AHPGDCYP2D6 | |
| SCHEMBL14177732 | 0.86 | KMT2A (0.43) | ALDH1A1MCOLN3KMT2AHPGDCYP2D6 | |
| SCHEMBL14177733 | 0.86 | KMT2A (0.43) | ALDH1A1MCOLN3KMT2AHPGDCYP2D6 | |
| SCHEMBL14196200 | 0.86 | KMT2A (0.43) | ALDH1A1MCOLN3KMT2AHPGDCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-9776965-B2 | Pyrrolidin-2-one and piperidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2017-10-03 | — | — | US | disclosed |