Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 9/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30584582 | 0.85 | PIN1 (0.56) | PIN1MAPTALDH1A1GAAMEN1 | |
| SCHEMBL29250669 | 0.85 | PIN1 (0.56) | PIN1MAPTALDH1A1GAAMEN1 | |
| SCHEMBL1707043 | 0.79 | PIN1 (0.58) | PIN1MAPTRAB9AHTTLMNA | |
| SCHEMBL29250611 | 0.78 | EGFR (0.53) | EGFR | |
| SCHEMBL1706682 | 0.77 | PIN1 (0.59) | PIN1MAPTHPGDALDH1A1GAA | |
| SCHEMBL30672838 | 0.76 | PIN1 (0.64) | PIN1MAPTHPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL16370549 | 0.76 | PIN1 (0.64) | PIN1MAPTHPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL57125 | 0.74 | HTT (0.68) | MAPTHPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL29441283 | 0.74 | HTT (0.72) | MAPTHPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL527567 | 0.74 | HTT (0.72) | MAPTHPGDSMN1; SMN2NPC1RAB9A |
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-116685583-A | Pyrimidine compounds, compositions and pharmaceutical uses thereof | 缆图药品公司 | 2023-09-01 | — | — | CN | disclosed |