Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.66 |
| ▸ | RAB9A | P51151 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | CDK1 | P06493 | 4/20 | 0.54 |
| ▸ | FLT3 | P36888 | 3/20 | 0.54 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.54 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.54 |
| ▸ | CDK2 | P24941 | 2/20 | 0.54 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.54 |
| ▸ | CDK4 | P11802 | 1/20 | 0.54 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.54 |
| ▸ | CCND1 | P24385 | 1/20 | 0.54 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.54 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.53 |
| ▸ | CTSL | P07711 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | NT5E | P21589 | 1/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL21954488 | 1.00 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2CDK1FLT3 | |
| SCHEMBL29659598 | 0.89 | TDP1 (0.66) | NPC1RAB9ASMN1; SMN2FLT3CCNE2 | |
| SCHEMBL20547437 | 0.89 | TDP1 (0.66) | NPC1RAB9ASMN1; SMN2FLT3CCNE2 | |
| SCHEMBL20547532 | 0.87 | YTHDC1 (0.51) | NPC1RAB9ASMN1; SMN2CDK1FLT3 | |
| SCHEMBL29659620 | 0.87 | YTHDC1 (0.51) | NPC1RAB9ASMN1; SMN2CDK1FLT3 | |
| SCHEMBL20547585 | 0.86 | TDP1 (0.68) | NPC1RAB9ASMN1; SMN2CDK1FLT3 | |
| SCHEMBL29659523 | 0.86 | TDP1 (0.68) | NPC1RAB9ASMN1; SMN2CDK1FLT3 | |
| SCHEMBL20547426 | 0.86 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2CDK1YTHDC1 | |
| SCHEMBL30410563 | 0.86 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2CDK1FLT3 | |
| SCHEMBL21954485 | 0.85 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2CDK1FLT3 |
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 |