Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.63 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | IDH1 | O75874 | 2/20 | 0.52 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.48 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20534342 | 1.00 | ALDH1A1 (0.63) | ALDH1A1PSMB5MAPTLMNACA9 | |
| SCHEMBL20534419 | 1.00 | ALDH1A1 (0.63) | ALDH1A1PSMB5MAPTLMNACA9 | |
| SCHEMBL20534545 | 0.89 | ALDH1A1 (0.79) | ALDH1A1PSMB5MAPTLMNACA9 | |
| SCHEMBL20534554 | 0.89 | ALDH1A1 (0.79) | ALDH1A1PSMB5MAPTLMNACA9 | |
| SCHEMBL20534546 | 0.89 | ALDH1A1 (0.79) | ALDH1A1PSMB5MAPTLMNACA9 | |
| SCHEMBL21783133 | 0.87 | ALDH1A1 (0.68) | ALDH1A1PSMB5MAPTLMNAAKR1B1 | |
| SCHEMBL14769790 | 0.80 | ALDH1A1 (0.54) | ALDH1A1MAPTLMNAMAPK1IDH1 | |
| SCHEMBL21783132 | 0.76 | ALDH1A1 (0.82) | ALDH1A1MAPTLMNAAKR1B1MAPK1 | |
| SCHEMBL20534340 | 0.76 | MAPT (0.79) | ALDH1A1MAPTCA9AKR1B1MAPK1 | |
| SCHEMBL10492239 | 0.76 | MAPT (0.79) | ALDH1A1MAPTCA9AKR1B1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3609494-A1 | HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY | La Trobe University (AU) | 2020-02-19 | — | — | EP | disclosed |
| WO-2018187845-A1 | HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY | LA TROBE UNIVERSITY (AU) | 2018-10-18 | — | — | WO | disclosed |