Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | G6PD | P11413 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL8724347 | 0.84 | CYP3A4 (0.45) | CYP3A4KDM4EALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL8726118 | 0.82 | CYP3A4 (0.45) | CYP3A4KDM4EALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL8721430 | 0.80 | CYP3A4 (0.34) | CYP3A4KDM4EALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL8720924 | 0.72 | CYP3A4 (0.38) | CYP3A4KDM4EALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL5340891 | 0.70 | CYP3A4 (0.60) | CYP3A4KDM4EALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL28815646 | 0.69 | IDO1 (0.56) | CYP3A4KDM4EALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL8721411 | 0.69 | TSHR (0.51) | CYP3A4ALDH1A1CYP11B2CYP11B1MEN1 | |
| SCHEMBL8724187 | 0.68 | CYP3A4 (0.35) | CYP3A4KDM4EALDH1A1CYP11B2CYP11B1 | |
| SCHEMBL29163972 | 0.68 | — | — | |
| SCHEMBL12877192 | 0.67 | ALDH1A1 (0.53) | CYP3A4KDM4EALDH1A1CYP11B2CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998000430-A1 | IMIDAZOL DERIVATIVES USEFUL AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-01-08 | — | — | WO | disclosed |