Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | APEX1 | P27695 | 1/20 | 0.53 |
| ▸ | PI4KA | P42356 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.53 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.53 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.53 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18587797 | 1.00 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL29665002 | 0.87 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL18587962 | 0.87 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL18587537 | 0.85 | YTHDC1 (0.62) | NPC1RAB9ASMN1; SMN2CYP2C19YTHDC1 | |
| SCHEMBL18587834 | 0.83 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL21029515 | 0.81 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL9885102 | 0.79 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL18587087 | 0.79 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL18587971 | 0.77 | SMN1; SMN2 (0.64) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL30679403 | 0.76 | YTHDC1 (0.69) | NPC1RAB9ASMN1; SMN2ALDH1A1TP53 |
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-3341371-B1 | ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS | UNIV PALACKEHO (CZ) | 2022-06-29 | — | — | EP | claimed |