Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | GLA | P06280 | 2/20 | 0.52 |
| ▸ | F2 | P00734 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14856794 | 0.89 | PIK3C3 (0.42) | ALDH1A1GLAF2HPGDPIK3C3 | |
| SCHEMBL12925129 | 0.78 | MMP12 (0.56) | ALDH1A1GLAF2HPGDPIK3C3 | |
| SCHEMBL31200193 | 0.78 | MMP12 (0.56) | ALDH1A1GLAF2HPGDPIK3C3 | |
| SCHEMBL2017082 | 0.76 | MMP12 (0.63) | ALDH1A1GLAF2HPGDKDM4E | |
| SCHEMBL1150521 | 0.76 | BRD4 (0.42) | ALDH1A1HPGDPIK3C3BRD4KDM4E | |
| SCHEMBL31194336 | 0.76 | PIK3C3 (0.50) | ALDH1A1HPGDPIK3C3BRD4KDM4E | |
| SCHEMBL12709594 | 0.76 | PIK3C3 (0.50) | ALDH1A1HPGDPIK3C3BRD4KDM4E | |
| SCHEMBL27889595 | 0.75 | ALDH1A1 (0.52) | ALDH1A1GLAF2HPGDPIK3C3 | |
| SCHEMBL12896064 | 0.74 | BRD4 (0.41) | PIK3C3BRD4MMP12PDE3BPDE3A | |
| SCHEMBL3750809 | 0.72 | MAOA (0.64) | ALDH1A1GLAHPGDKDM4EGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104774205-A | N1/N2-lactam acetyl-coa carboxylase inhibitors | PFIZER | 2015-07-15 | — | — | CN | disclosed |
| CN-103189377-B | N1/n2-lactam acetyl-coa carboxylase inhibitors | PFIZER | 2015-02-25 | — | — | CN | disclosed |
| CN-103189377-A | N1/n2-lactam acetyl-coa carboxylase inhibitors | PFIZER | 2013-07-03 | — | — | CN | disclosed |