Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | PPIB | P23284 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10603717 | 1.00 | ALDH1A1 (0.54) | ALDH1A1PPIBTSHRPKMATM | |
| SCHEMBL28202516 | 0.94 | ALDH1A1 (0.47) | ALDH1A1PPIBTSHRPKMATM | |
| SCHEMBL11154239 | 0.90 | ALDH1A1 (0.46) | ALDH1A1PPIBTSHRPKMATM | |
| SCHEMBL3110019 | 0.84 | ALDH1A1 (0.41) | ALDH1A1PPIBTSHRPKMATM | |
| SCHEMBL22389768 | 0.82 | HDAC3 (0.50) | ALDH1A1SIGMAR1HDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL3228756 | 0.81 | HDAC3 (0.49) | ALDH1A1SIGMAR1HDAC3HDAC4HDAC1 | |
| SCHEMBL21037722 | 0.80 | HDAC3 (0.51) | PPIBKDM4ESIGMAR1HDAC3HDAC4 | |
| SCHEMBL11810936 | 0.78 | ALDH1A1 (0.46) | ALDH1A1SIGMAR1 | |
| SCHEMBL10604188 | 0.76 | HDAC3 (0.42) | ALDH1A1PPIBATMKDM4EHTT | |
| SCHEMBL21037721 | 0.76 | CYP2D6 (0.44) | ALDH1A1PPIBPOLBMAPTSIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2406240-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2012-01-18 | — | — | EP | disclosed |