Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.50 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 4/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20547428 | 1.00 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2ADORA3YTHDC1 | |
| SCHEMBL29659545 | 0.97 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2ADORA3YTHDC1 | |
| SCHEMBL20547433 | 0.97 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2ADORA3YTHDC1 | |
| SCHEMBL29659693 | 0.90 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2ADORA3YTHDC1 | |
| SCHEMBL29659641 | 0.89 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2ADORA3YTHDC1 | |
| SCHEMBL20547199 | 0.89 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2ADORA3YTHDC1 | |
| SCHEMBL20547489 | 0.87 | YTHDC1 (0.61) | NPC1RAB9ASMN1; SMN2ADORA3YTHDC1 | |
| SCHEMBL30409810 | 0.87 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2ADORA3YTHDC1 | |
| SCHEMBL21954485 | 0.87 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2ADORA3YTHDC1 | |
| SCHEMBL29659622 | 0.87 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2ADORA3YTHDC1 |
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-3615535-B1 | 9-(2-OXACYCLOALKYL)-9H-PURINE-2,6-DIAMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SKIN DISORDERS | UNIV PALACKEHO (CZ) | 2022-06-15 | — | — | EP | disclosed |