Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3455909 | 0.90 | MEN1 (0.63) | MEN1KMT2AALDH1A1NPSR1TSHR | |
| SCHEMBL3457264 | 0.86 | CA1 (0.63) | MEN1KMT2ACA1CA2CA4 | |
| SCHEMBL3458047 | 0.81 | MEN1 (0.50) | MEN1KMT2AKCNH2ALDH1A1NPSR1 | |
| SCHEMBL3456010 | 0.77 | ALDH1A1 (0.47) | MEN1KMT2AKCNH2ALDH1A1RXFP1 | |
| SCHEMBL3455838 | 0.72 | ALDH1A1 (0.57) | MEN1KMT2ACA1CA2CA4 | |
| SCHEMBL3455982 | 0.71 | CA1 (0.58) | CA1CA2CA4CA9ALDH1A1 | |
| SCHEMBL3455348 | 0.71 | NPSR1 (0.50) | MEN1KMT2AALDH1A1NPSR1TSHR | |
| SCHEMBL25767433 | 0.70 | TP53 (0.67) | KMT2AALDH1A1NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL3456037 | 0.68 | TP53 (0.47) | MEN1KMT2AALDH1A1NPSR1TSHR | |
| SCHEMBL3455812 | 0.67 | NPSR1 (0.55) | MEN1KMT2AALDH1A1NPSR1TSHR |
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-2250165-A1 | TRIAZOLE OXADIAZOLES DERIVATIVES | Merck Serono S.A. (CH) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009080663-A1 | TRIAZOLE OXADIAZOLES DERIVATIVES | MERCK SERONO S.A. (CH) | 2009-07-02 | — | — | WO | disclosed |