Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.40 |
| ▸ | CA2 | P00918 | 5/20 | 0.40 |
| ▸ | CA9 | Q16790 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11729595 | 0.90 | LMNA (0.53) | LMNACYP2C19EGFRERBB2CA1 | |
| SCHEMBL11837868 | 0.85 | EGFR (0.46) | LMNACYP2C19EGFRERBB2CA1 | |
| SCHEMBL11729587 | 0.85 | LMNA (0.51) | LMNACYP2C19EGFRERBB2CA1 | |
| SCHEMBL15752460 | 0.81 | LMNA (0.60) | LMNACYP2C19CA1CA2CA9 | |
| SCHEMBL11641060 | 0.80 | LMNA (0.59) | LMNACYP2C19EGFRERBB2CYP1A2 | |
| SCHEMBL15752503 | 0.76 | LMNA (0.68) | LMNACYP2C19CA1CA2CA9 | |
| SCHEMBL11761518 | 0.76 | LMNA (0.49) | LMNACYP2C19CA1CA2CA9 | |
| Fexinidazole Sulfone SCHEMBL11756026 | 0.76 | LMNA (0.54) | LMNACYP2C19CA1CA2CA9 | |
| SCHEMBL11756263 | 0.76 | LMNA (0.51) | LMNACYP2C19EGFRERBB2CA1 | |
| SCHEMBL11757498 | 0.75 | LMNA (0.48) | LMNACYP2C19CA1CA2CA9 |
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-3962454-A | Bis-(1-alkyl-5-nitro-imidazolyl-2-alkyl)-compounds | HOECHST AKTIENGESELLSCHAFT (DT) | 1976-06-08 | — | — | US | disclosed |