Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 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 | |
|---|---|---|---|---|
| SCHEMBL20674254 | 0.83 | PIK3CG (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL20674256 | 0.77 | TSHR (0.32) | TSHR | |
| SCHEMBL20674086 | 0.75 | TSHR (0.40) | TSHRSMN1; SMN2LMNAGAAKDM4E | |
| SCHEMBL23937757 | 0.74 | PKM (0.35) | TSHRLMNAKDM4EPKML3MBTL1 | |
| SCHEMBL23937675 | 0.71 | TUBB4A (0.39) | TSHRSMN1; SMN2HTTKDM4ECA2 | |
| SCHEMBL23937755 | 0.71 | FTO (0.36) | TSHRLMNAPKML3MBTL1FTO | |
| SCHEMBL10153740 | 0.70 | PKM (0.62) | SMN1; SMN2LMNAHTTGAAPKM | |
| SCHEMBL9143971 | 0.68 | SERPINE1 (0.70) | TSHRSMN1; SMN2LMNAHTTGAA | |
| SCHEMBL10153951 | 0.67 | RORC (0.41) | KDM4ECA2FTOALDH1A1HTR6 | |
| SCHEMBL20674246 | 0.67 | BRD4 (0.42) | SMN1; SMN2KDM4EALDH1A1TUBB4ATUBB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3399968-B1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LTD (KY) | 2021-10-20 | — | — | EP | disclosed |