Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.51 |
| ▸ | ACACB | O00763 | 2/20 | 0.45 |
| ▸ | ACACA | Q13085 | 2/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.45 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | FDPS | P14324 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.36 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.36 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.36 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL102267 | 0.86 | ALDH1A3 (0.53) | ALDH1A3ACACBACACAERN1KMT2A | |
| SCHEMBL31513730 | 0.80 | KCNJ1 (0.43) | ERN1KMT2A | |
| SCHEMBL31513731 | 0.80 | KCNJ1 (0.43) | ERN1KMT2A | |
| SCHEMBL18655733 | 0.79 | NQO1 (0.47) | ACACBERN1KMT2A | |
| SCHEMBL30893537 | 0.78 | KCNJ1 (0.44) | ERN1KMT2A | |
| SCHEMBL29893944 | 0.78 | KCNJ1 (0.44) | ERN1KMT2A | |
| SCHEMBL16761877 | 0.78 | KCNJ1 (0.44) | ERN1KMT2A | |
| SCHEMBL3423566 | 0.75 | ALDH1A3 (0.88) | ALDH1A3ACACBACACAERN1MCL1 | |
| SCHEMBL18650604 | 0.75 | CYP2A6 (0.41) | MAP4K4EGLN1KMT2A | |
| SCHEMBL24405051 | 0.75 | EGLN1 (0.54) | ALDH1A3ACACBACACAMAP4K4ERN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010024783-A1 | BIARYLRHODANINE AND PYRIDYLRHODANINE COMPOUNDS AND THEIR USE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2010-03-04 | — | — | WO | disclosed |