Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.69 |
| ▸ | RAB9A | P51151 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | CDK1 | P06493 | 6/20 | 0.55 |
| ▸ | CTSL | P07711 | 2/20 | 0.52 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.51 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.48 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.48 |
| ▸ | CDK2 | P24941 | 3/20 | 0.48 |
| ▸ | FLT3 | P36888 | 3/20 | 0.48 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.48 |
| ▸ | CDK4 | P11802 | 1/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.48 |
| ▸ | CCND1 | P24385 | 1/20 | 0.48 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20547199 | 1.00 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2CDK1CTSL | |
| SCHEMBL29659622 | 0.97 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2CDK1CTSL | |
| SCHEMBL21954485 | 0.97 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2CDK1CTSL | |
| SCHEMBL20547442 | 0.92 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2CDK1CTSL | |
| SCHEMBL29659500 | 0.92 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2CDK1CTSL | |
| SCHEMBL29659693 | 0.91 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2CDK1CTSL | |
| SCHEMBL20547428 | 0.89 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2CDK1CTSL | |
| SCHEMBL29659564 | 0.89 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2CDK1CTSL | |
| SCHEMBL20547513 | 0.89 | CCNE2 (0.61) | NPC1RAB9ASMN1; SMN2CDK1CTSL | |
| SCHEMBL29659506 | 0.89 | CCNE2 (0.61) | NPC1RAB9ASMN1; SMN2CDK1CTSL |
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 |