Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | CASP7 | P55210 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | RGS12 | O14924 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25302389 | 0.85 | CYP1A2 (0.45) | PARP1GSK3BCYP1A2MAPTNPSR1 | |
| SCHEMBL29610334 | 0.85 | PARP1 (0.46) | PARP1GSK3BCYP1A2MAPTNPSR1 | |
| SCHEMBL28357765 | 0.78 | TYMS (0.52) | CYP1A2MAPTMEN1KMT2APOLB | |
| SCHEMBL732391 | 0.77 | ALDH1A1 (0.44) | GSK3BCYP1A2MAPTCASP7MEN1 | |
| SCHEMBL458586 | 0.76 | PABPC1 (0.55) | GSK3BCYP1A2MAPTNPSR1CASP7 | |
| SCHEMBL29827450 | 0.76 | PABPC1 (0.55) | GSK3BCYP1A2MAPTNPSR1CASP7 | |
| SCHEMBL5469529 | 0.75 | NPC1 (0.48) | GSK3BCYP1A2MAPTSMN1; SMN2ACVR1 | |
| SCHEMBL22798938 | 0.74 | NPC1 (0.38) | GSK3BCYP1A2MAPTMEN1KMT2A | |
| Phthalimide SCHEMBL28230143 | 0.72 | ALDH1A1 (0.63) | PARP1GSK3BCYP1A2MAPTCASP7 | |
| SCHEMBL14463522 | 0.72 | PARP1 (0.47) | PARP1GSK3BCYP1A2MAPTNPSR1 |
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-116217482-A | Fluorescent dye for nucleolus marking and synthesis and application thereof | 中国科学院大连化学物理研究所 | 2023-06-06 | — | — | CN | claimed |
| CN-116217482-A | Fluorescent dye for nucleolus marking and synthesis and application thereof | 中国科学院大连化学物理研究所 | 2023-06-06 | — | — | CN | disclosed |