Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 5/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | RXRA | P19793 | 3/20 | 0.35 |
| ▸ | RXRB | P28702 | 3/20 | 0.35 |
| ▸ | RXRG | P48443 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30631225 | 0.85 | RXRA (0.49) | PIK3CAHDAC1RAB9ARXRARXRB | |
| SCHEMBL29151981 | 0.85 | RXRA (0.49) | PIK3CAHDAC1RAB9ARXRARXRB | |
| SCHEMBL29152006 | 0.85 | MEN1 (0.36) | PIK3CAHDAC1L3MBTL1MEN1KMT2A | |
| SCHEMBL29152026 | 0.77 | HDAC1 (0.57) | PIK3CAHDAC1MAPTLMNARAB9A | |
| SCHEMBL29152021 | 0.76 | PIK3CA (0.45) | PIK3CAHDAC1 | |
| SCHEMBL28457959 | 0.74 | CA12 (0.41) | PIK3CAHDAC1ATM | |
| SCHEMBL30631181 | 0.73 | ELANE (0.41) | PIK3CAHDAC1MAPTLMNARAB9A | |
| SCHEMBL28460294 | 0.73 | CA12 (0.42) | PIK3CAHDAC1CYP2C19ATM | |
| SCHEMBL28457788 | 0.73 | PIK3CA (0.40) | PIK3CAHDAC1 | |
| SCHEMBL28445733 | 0.72 | CA12 (0.43) | PIK3CAHDAC1RAB9A |
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-116987061-A | 4-methyl quinazoline derivative, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2023-11-03 | — | — | CN | disclosed |