Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27927096 | 0.89 | ALDH1A1 (0.52) | PIK3C3ALDH1A1HPGDF2GLA | |
| SCHEMBL12925129 | 0.76 | MMP12 (0.56) | PIK3C3ALDH1A1HPGDF2GLA | |
| SCHEMBL31200193 | 0.76 | MMP12 (0.56) | PIK3C3ALDH1A1HPGDF2GLA | |
| SCHEMBL4603949 | 0.75 | MMP12 (0.60) | ALDH1A1HPGDKDM4EHTTRAB9A | |
| SCHEMBL30569172 | 0.75 | ALDH1A1 (0.51) | PIK3C3ALDH1A1HPGDKDM4EHTT | |
| SCHEMBL1607825 | 0.75 | ALDH1A1 (0.51) | PIK3C3ALDH1A1HPGDKDM4EHTT | |
| SCHEMBL14856741 | 0.74 | CDK8 (0.49) | PIK3C3BRD4 | |
| SCHEMBL1150521 | 0.73 | BRD4 (0.42) | PIK3C3ALDH1A1HPGDKDM4EHTT | |
| SCHEMBL12896064 | 0.72 | BRD4 (0.41) | PIK3C3BRD4APPMMP12 | |
| SCHEMBL31200082 | 0.72 | NSD2 (0.51) | KDM4ERAB9AMAOAHDAC6 |
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-2401256-B1 | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT (DE) | 2013-04-17 | — | — | EP | disclosed |