Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.42 |
| ▸ | TUBB | P07437 | 1/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.42 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.42 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.42 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.42 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.42 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.42 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.42 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | LITAF | Q99732 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30723324 | 0.89 | KDM4E (0.38) | CYP1A2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL30723307 | 0.87 | TRPV4 (0.44) | HRH3KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL30723305 | 0.87 | MAPT (0.40) | HRH3KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL30723322 | 0.87 | MAPT (0.36) | CYP1A2KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL30723309 | 0.86 | MAPK1 (0.39) | HRH3KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL30723331 | 0.83 | KMT2A (0.34) | CYP1A2KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL30723314 | 0.83 | ACHE (0.54) | CYP1A2KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL30723323 | 0.82 | MAPK1 (0.48) | CYP1A1CYP1B1TNFKDM4EALDH1A1 | |
| SCHEMBL30723297 | 0.79 | ALDH1A1 (0.47) | CYP1A1CYP1A2CYP1B1HRH3KDM4E | |
| SCHEMBL30723302 | 0.78 | MEN1 (0.38) | CYP1A2KDM4EALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-117486887-A | Polycyclic pyrimidine-4-ketone compound and preparation method and application thereof | 昆明学院 | 2024-02-02 | — | — | CN | disclosed |