Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.53 |
| ▸ | CA2 | P00918 | 5/20 | 0.53 |
| ▸ | CA9 | Q16790 | 5/20 | 0.53 |
| ▸ | CA12 | O43570 | 4/20 | 0.53 |
| ▸ | EGFR | P00533 | 3/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL9232636 | 0.87 | CA1 (0.70) | CA1CA2CA9CA12EGFR | |
| SCHEMBL11844288 | 0.81 | CA2 (0.52) | CA1CA2CA9CA12EGFR | |
| SCHEMBL11860791 | 0.80 | LMNA (0.54) | CA1CA2CA9CA12EGFR | |
| SCHEMBL11873312 | 0.79 | CA1 (0.47) | CA1CA2CA9CA12EGFR | |
| SCHEMBL11873317 | 0.79 | CA1 (0.47) | CA1CA2CA9CA12EGFR | |
| SCHEMBL11729595 | 0.79 | LMNA (0.53) | CA1CA2CA9CA12EGFR | |
| SCHEMBL9236173 | 0.78 | SMN1; SMN2 (0.50) | CA1CA2CA9CA12EGFR | |
| SCHEMBL11846064 | 0.76 | CA2 (0.44) | CA1CA2CA9CA12EGFR | |
| SCHEMBL11720483 | 0.74 | CA12 (0.43) | CA1CA2CA9CA12EGFR | |
| SCHEMBL11520704 | 0.74 | LMNA (0.72) | CA1CA2CA9CA12EGFR |
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-3997572-A | N-[2-(nitro-1-imidazolyl)ethyl]naphthal imides | G. D. SEARLE & CO. (US) | 1976-12-14 | — | — | US | disclosed |