Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15600777 | 0.85 | TDP1 (0.38) | ALDH1A1KDM4ETDP1ATMNPSR1 | |
| SCHEMBL19912771 | 0.82 | PKM (0.36) | ALDH1A1KDM4EPKMLMNAEGFR | |
| SCHEMBL19669740 | 0.82 | LMNA (0.38) | ALDH1A1KDM4ELMNAEGFR | |
| SCHEMBL19912779 | 0.82 | SMN1; SMN2 (0.45) | ALDH1A1LMNAEGFR | |
| SCHEMBL24637162 | 0.81 | EGFR (0.34) | ALDH1A1LMNAEGFR | |
| SCHEMBL19442308 | 0.80 | SMN1; SMN2 (0.47) | ALDH1A1LMNAEGFR | |
| SCHEMBL19669738 | 0.79 | SMN1; SMN2 (0.38) | ALDH1A1KDM4EPOLBTP53LMNA | |
| SCHEMBL15600836 | 0.78 | SIGMAR1 (0.41) | ALDH1A1KDM4EPKMLMNAEGFR | |
| SCHEMBL15600841 | 0.78 | SMN1; SMN2 (0.53) | ALDH1A1KDM4EEGFRTSHR | |
| SCHEMBL20235763 | 0.77 | ACKR3 (0.35) | ALDH1A1LMNAEGFR |
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-9834571-B2 | Compounds for inhibiting cell proliferation in EGFR-driven cancers | ARIAD PHARMACEUTICALS, INC. (US) | 2017-12-05 | — | — | US | disclosed |