Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PTAFR | P25105 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6210861 | 0.92 | HDAC1 (0.41) | ALDH1A1HDAC3HDAC1NAMPTHTR1A | |
| SCHEMBL6259546 | 0.89 | ALDH1A1 (0.46) | ALDH1A1MAPTHDAC3HDAC1NAMPT | |
| SCHEMBL6210118 | 0.89 | DPP4 (0.44) | ALDH1A1HDAC3HDAC1NAMPTSMN1; SMN2 | |
| SCHEMBL6211755 | 0.88 | DPP4 (0.45) | ALDH1A1NAMPTSMYD3LMNAPTAFR | |
| SCHEMBL6211651 | 0.88 | NAMPT (0.38) | ALDH1A1MAPTNAMPTSMN1; SMN2SMYD3 | |
| SCHEMBL6211981 | 0.87 | ALDH1A1 (0.46) | ALDH1A1MAPTHDAC3HDAC1NAMPT | |
| SCHEMBL6209329 | 0.87 | HDAC3 (0.42) | ALDH1A1HDAC3HDAC1NAMPTHTR1A | |
| SCHEMBL6210722 | 0.87 | CHRM4 (0.42) | NAMPTPTAFR | |
| SCHEMBL6215209 | 0.86 | ROCK2 (0.40) | ALDH1A1SMYD3LMNAPTAFR | |
| SCHEMBL6211580 | 0.85 | NAMPT (0.43) | HDAC3HDAC1NAMPTSMYD3PTAFR |
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-1546150-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | Amura Therapeutics Limited (GB) | 2005-06-29 | — | — | EP | claimed |
| WO-2004007501-A1 | BIOLOGICALLY ACTIVE COMPOUNDS | AMURA THERAPEUTICS LIMITED (GB) | 2004-01-22 | — | — | WO | claimed |