Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.54 |
| ▸ | ACACB | O00763 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL27870261 | 1.00 | NPC1 (0.61) | NPC1EPHX2ALDH1A1LMNATP53 | |
| SCHEMBL14880128 | 0.87 | ROCK2 (0.63) | NPC1EPHX2ALDH1A1LMNATP53 | |
| SCHEMBL10822708 | 0.87 | ROCK2 (0.63) | NPC1EPHX2ALDH1A1LMNATP53 | |
| SCHEMBL12191128 | 0.86 | GPR55 (0.53) | NPC1ALDH1A1LMNAKMT2AROCK2 | |
| SCHEMBL5644953 | 0.82 | NPC1 (0.88) | NPC1ALDH1A1LMNASMN1; SMN2KMT2A | |
| SCHEMBL12288823 | 0.80 | ACACB (0.52) | NPC1EPHX2ALDH1A1LMNATP53 | |
| SCHEMBL13229283 | 0.80 | NPC1 (0.59) | NPC1ALDH1A1LMNAKMT2AROCK2 | |
| SCHEMBL13325935 | 0.80 | NPC1 (0.59) | NPC1ALDH1A1LMNAKMT2AROCK2 | |
| SCHEMBL31398654 | 0.80 | LMNA (0.53) | NPC1ALDH1A1LMNATP53RAB9A | |
| SCHEMBL1106964 | 0.79 | HDAC1 (0.62) | NPC1ALDH1A1LMNATP53RAB9A |
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-3466929-B1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | MILLENNIUM PHARM INC (US) | 2023-09-06 | — | — | EP | disclosed |