Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TACR3 | P29371 | 8/20 | 0.47 |
| ▸ | ACACB | O00763 | 4/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | KLK7 | P49862 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | ACACA | Q13085 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1013614 | 1.00 | KDM4E (0.49) | KDM4ESMN1; SMN2ALDH1A1TACR3ACACB | |
| SCHEMBL1013638 | 1.00 | KDM4E (0.49) | KDM4ESMN1; SMN2ALDH1A1TACR3ACACB | |
| SCHEMBL1014533 | 0.94 | KDM4E (0.48) | KDM4ESMN1; SMN2ALDH1A1TACR3ACACB | |
| SCHEMBL1012675 | 0.91 | KDM4E (0.45) | KDM4ESMN1; SMN2ALDH1A1TACR3ACACB | |
| SCHEMBL13223061 | 0.89 | KDM4E (0.53) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A | |
| SCHEMBL5104795 | 0.89 | KDM4E (0.53) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A | |
| SCHEMBL5107752 | 0.89 | KDM4E (0.53) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A | |
| SCHEMBL14076822 | 0.88 | KDM4E (0.54) | KDM4ESMN1; SMN2ALDH1A1TACR3ACACB | |
| SCHEMBL5111530 | 0.82 | KDM4E (0.57) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A | |
| SCHEMBL5111300 | 0.82 | KDM4E (0.57) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A |
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-2272858-A2 | HCV inhibitors comprising beta amino acids and their uses | Novartis AG (CH) | 2011-01-12 | — | — | EP | disclosed |