Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CA9 | Q16790 | 5/20 | 0.43 |
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CCR6 | P51684 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11827666 | 0.90 | LMNA (0.53) | LMNACYP2C19NPC1EGFRERBB2 | |
| SCHEMBL11729587 | 0.83 | LMNA (0.51) | LMNACYP2C19NPC1EGFRERBB2 | |
| SCHEMBL15752460 | 0.81 | LMNA (0.60) | LMNACYP2C19NPC1CA1CA2 | |
| SCHEMBL11860800 | 0.79 | CA1 (0.53) | LMNAEGFRERBB2CA1CA2 | |
| SCHEMBL9232636 | 0.77 | CA1 (0.70) | LMNAEGFRERBB2CA1CA2 | |
| SCHEMBL15752503 | 0.76 | LMNA (0.68) | LMNACYP2C19NPC1CA1CA2 | |
| Fexinidazole Sulfone SCHEMBL11756026 | 0.76 | LMNA (0.54) | LMNACYP2C19NPC1CA1CA2 | |
| SCHEMBL11837868 | 0.76 | EGFR (0.46) | LMNACYP2C19EGFRERBB2CA1 | |
| SCHEMBL11824133 | 0.75 | LMNA (0.55) | LMNACYP2C19EGFRERBB2CA1 | |
| SCHEMBL31018738 | 0.75 | LMNA (0.67) | LMNACYP2C19NPC1CA1CA2 |
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-4042705-A | 1-Methyl-2-(phenyl-oxymethyl)-5-nitro-imidazoles and process for their manufacture | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-08-16 | — | — | US | disclosed |