Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.35 |
| ▸ | MAOA | P21397 | 5/20 | 0.35 |
| ▸ | BRD4 | O60885 | 3/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18181796 | 0.79 | PARP1 (0.50) | PARP1MAOABRD4CREBBPKDM4E | |
| SCHEMBL9781211 | 0.79 | PARP1 (0.58) | PARP1AKR1B1MAOABRD4CREBBP | |
| SCHEMBL21175842 | 0.79 | PARP1 (0.36) | PARP1AKR1B1MAOABRD4CREBBP | |
| SCHEMBL17974430 | 0.78 | MAOA (0.36) | MAOAKDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL15758675 | 0.75 | — | — | |
| SCHEMBL15765124 | 0.75 | RXFP1 (0.43) | KDM4EALDH1A1HPGD | |
| SCHEMBL21175891 | 0.75 | — | — | |
| SCHEMBL15764953 | 0.75 | AQP1 (0.39) | — | |
| SCHEMBL9781322 | 0.71 | PARP1 (0.35) | PARP1AKR1B1MAOABRD4CREBBP | |
| SCHEMBL17974481 | 0.70 | TDP1 (0.37) | AKR1B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116262759-B | Pyrimidine tricyclic compound, and preparation method and medical application thereof | 华润医药研究院（深圳）有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-116262759-A | Pyrimidine tricyclic compound, and preparation method and medical application thereof | 华润医药研究院（深圳）有限公司 | 2023-06-16 | — | — | CN | disclosed |