Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.36 |
| ▸ | CTSD | P07339 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 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 | |
|---|---|---|---|---|
| SCHEMBL17543027 | 1.00 | BACE1 (0.36) | BACE1CTSDALDH1A1HPGDKDM4E | |
| SCHEMBL17543058 | 1.00 | BACE1 (0.36) | BACE1CTSDALDH1A1HPGDKDM4E | |
| SCHEMBL17543986 | 0.88 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4ELMNAMAPT | |
| SCHEMBL17543517 | 0.84 | MEN1 (0.37) | ALDH1A1MAPTKCNA5CNR1MAOA | |
| SCHEMBL21048971 | 0.83 | KCNA5 (0.37) | ALDH1A1LMNAMAPTKCNA5CNR1 | |
| SCHEMBL17542690 | 0.83 | KCNA5 (0.41) | ALDH1A1MAPTKCNA5CNR1MAOA | |
| SCHEMBL17542840 | 0.83 | KCNA5 (0.37) | ALDH1A1LMNAKCNA5CNR1MAOA | |
| SCHEMBL17543118 | 0.80 | BACE1 (0.36) | BACE1CTSDALDH1A1SMN1; SMN2 | |
| SCHEMBL17543119 | 0.80 | BACE1 (0.36) | BACE1CTSDALDH1A1SMN1; SMN2 | |
| SCHEMBL17542733 | 0.75 | KEAP1 (0.36) | ALDH1A1LMNAHTTSMN1; SMN2MEN1 |
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-3186240-B1 | HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS | OTSUKA PHARMA CO LTD (JP) | 2019-06-12 | — | — | EP | disclosed |