Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANO1 | Q5XXA6 | 3/20 | 0.43 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.40 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.39 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL19030836 | 0.87 | ERCC1 (0.46) | ERCC1ERCC4KMT2ACYP3A4P2RX7 | |
| SCHEMBL868684 | 0.82 | KEAP1 (0.51) | ANO1ERCC1ERCC4MRGPRX4LMNA | |
| SCHEMBL14263434 | 0.82 | RIPK1 (0.47) | ANO1CYP3A4MAPTSMN1; SMN2MAOB | |
| SCHEMBL14263482 | 0.82 | LMNA (0.44) | KMT2ACYP3A4MEN1IDO1SLC22A1 | |
| Hydrochloric Acid SCHEMBL1372458 | 0.81 | KEAP1 (0.50) | ANO1ERCC1ERCC4MRGPRX4LMNA | |
| SCHEMBL25899790 | 0.81 | GAA (0.42) | MRGPRX4KMT2ACYP3A4MEN1IDO1 | |
| SCHEMBL25852925 | 0.81 | MEN1 (0.44) | ANO1ERCC1ERCC4KMT2ACYP3A4 | |
| SCHEMBL2917379 | 0.80 | HTT (0.44) | ANO1ERCC1ERCC4MRGPRX4KMT2A | |
| SCHEMBL28684824 | 0.79 | NOS3 (0.40) | KMT2ACYP3A4MEN1IDO1SLC22A1 | |
| SCHEMBL15289490 | 0.79 | CYP3A4 (0.38) | CYP3A4ALDH1A1 |
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-2651899-A2 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012080284-A2 | SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2012-06-21 | — | — | WO | disclosed |