Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MPI | P34949 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 6/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL79252 | 1.00 | ERN1 (0.44) | ERN1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL11045347 | 0.97 | ERN1 (0.42) | ERN1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL29169368 | 0.97 | ERN1 (0.42) | ERN1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL28225789 | 0.97 | ERN1 (0.42) | ERN1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL686293 | 0.85 | ERN1 (0.54) | ERN1ALDH1A1MAPTMEN1KMT2A | |
| Pyrrole SCHEMBL5961895 | 0.84 | KMT2A (0.35) | ERN1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL2926466 | 0.83 | CYP3A4 (0.48) | ERN1ALDH1A1MAPTKDM4ECA1 | |
| SCHEMBL14032881 | 0.83 | ERN1 (0.38) | ERN1ALDH1A1MAPTMEN1KMT2A | |
| Benzaldehyde SCHEMBL28318731 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL11419937 | 0.81 | CYP3A4 (0.47) | ERN1ALDH1A1MAPTKDM4ECA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7956061-B2 | Bicyclic pyrimidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME CORP. (US) | 2011-06-07 | — | — | US | disclosed |