Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 4/20 | 0.59 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22397959 | 1.00 | ERBB2 (0.59) | ERBB2MINK1ALDH1A1ALOX15KDM4E | |
| SCHEMBL22397920 | 0.91 | ERBB2 (0.57) | ERBB2MINK1ALDH1A1ALOX15KDM4E | |
| SCHEMBL28476961 | 0.91 | ERBB2 (0.57) | ERBB2MINK1ALDH1A1ALOX15KDM4E | |
| SCHEMBL22397990 | 0.89 | ERBB2 (0.63) | ERBB2MINK1MAPTHMOX1 | |
| SCHEMBL22398092 | 0.89 | ERBB2 (0.63) | ERBB2MINK1MAPTHMOX1 | |
| SCHEMBL22398026 | 0.89 | ERBB2 (0.60) | ERBB2MINK1HMOX1 | |
| SCHEMBL22398024 | 0.89 | ERBB2 (0.60) | ERBB2MINK1HMOX1 | |
| SCHEMBL22397918 | 0.88 | ERBB2 (0.62) | ERBB2MINK1HMOX1 | |
| SCHEMBL22397921 | 0.88 | ERBB2 (0.62) | ERBB2MINK1HMOX1 | |
| SCHEMBL22398004 | 0.88 | ERBB2 (0.57) | ERBB2MINK1HMOX1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111886234-B | Heterocyclic mitochondrial activity inhibitors and uses thereof | 蒙特利尔大学 | 2023-12-15 | — | — | CN | disclosed |
| CN-111886234-A | Heterocyclic mitochondrial activity inhibitors and uses thereof | 蒙特利尔大学 | 2020-11-03 | — | — | CN | disclosed |