Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CTSB | P07858 | 3/20 | 0.46 |
| ▸ | CTSS | P25774 | 3/20 | 0.46 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28293240 | 0.89 | ALDH1A1 (0.49) | ALDH1A1CTSBCTSSCTSLCTSK | |
| SCHEMBL2746328 | 0.79 | CTSS (0.52) | ALDH1A1CTSBCTSSCTSLCTSK | |
| SCHEMBL1162743 | 0.77 | CTSL (0.45) | ALDH1A1CTSBCTSSCTSLGAA | |
| SCHEMBL9639481 | 0.76 | CTSS (0.55) | ALDH1A1CTSBCTSSCTSLCTSK | |
| SCHEMBL336592 | 0.76 | CTSL (0.48) | ALDH1A1CTSBCTSSCTSLGAA | |
| SCHEMBL29230112 | 0.75 | CA12 (0.49) | ALDH1A1CTSBCTSSCTSLGAA | |
| SCHEMBL29053942 | 0.74 | CA12 (0.48) | ALDH1A1CTSBCTSSCTSLGAA | |
| SCHEMBL14751533 | 0.74 | CTSS (0.58) | ALDH1A1CTSBCTSSCTSLCTSK | |
| SCHEMBL14743992 | 0.74 | CTSL (0.54) | ALDH1A1CTSBCTSSCTSLGAA | |
| SCHEMBL28744973 | 0.73 | CTSS (0.52) | ALDH1A1CTSBCTSSCTSLCTSK |
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-2011016576-A1 | ALANINE DERIVATIVES AS INHIBITORS OF APOPTOSIS PROTEINS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-10 | — | — | WO | disclosed |