Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CETP | P11597 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13763202 | 0.82 | KDM4E (0.56) | ERN1KDM4EALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL6544568 | 0.80 | ERN1 (0.63) | ERN1KDM4EALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL30949367 | 0.79 | ALDH1A1 (0.67) | ERN1KDM4EALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL599396 | 0.79 | ALDH1A1 (0.67) | ERN1KDM4EALDH1A1MAPK1SMN1; SMN2 | |
| Anthrarobin SCHEMBL29404728 | 0.77 | PTPN22 (0.68) | ALDH1A1PTPN22LCKHIF1APOLB | |
| Anthrarobin SCHEMBL187228 | 0.77 | PTPN22 (0.68) | ALDH1A1PTPN22LCKHIF1APOLB | |
| Anthrarobin SCHEMBL29523367 | 0.77 | PTPN22 (0.68) | ALDH1A1PTPN22LCKHIF1APOLB | |
| SCHEMBL28250998 | 0.77 | ERN1 (0.54) | ERN1KDM4EALDH1A1MAPK1SMN1; SMN2 | |
| SCHEMBL13763201 | 0.77 | PTPN22 (0.55) | ALDH1A1MAPK1PTPN22ESR1ESR2 | |
| SCHEMBL3818138 | 0.76 | ESR1 (0.54) | ERN1KDM4EALDH1A1MAPK1SMN1; SMN2 |
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-10166520-B2 | Catcapsules for self-healing applications | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2019-01-01 | — | — | US | disclosed |