Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | LPL | P06858 | 1/20 | 0.43 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL561229 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP1A2CA1CA2 | |
| SCHEMBL12314376 | 0.90 | POLB (0.53) | ALDH1A1HSD17B10CYP1A2CA1CA2 | |
| SCHEMBL7139795 | 0.88 | CA1 (0.48) | HSD17B10CA1CA2CA9POLB | |
| SCHEMBL11908777 | 0.87 | CA1 (0.50) | CA1CA2CA9LPLLIPG | |
| SCHEMBL15013490 | 0.86 | TDP1 (0.55) | ALDH1A1CA1CA2CA9POLB | |
| SCHEMBL30874514 | 0.85 | CA1 (0.46) | ALDH1A1CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL5675377 | 0.85 | PDGFRB (0.58) | HSD17B10CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL556699 | 0.85 | PDGFRB (0.46) | ALDH1A1CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL16058679 | 0.85 | MEN1 (0.56) | CA1CA2CA9SMN1; SMN2RAB9A | |
| SCHEMBL17921439 | 0.85 | LIPG (0.56) | CA1CA2CA9SMN1; SMN2RAB9A |
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-110506044-B | BRD4 inhibitor and preparation and application thereof | 中国科学院上海药物研究所 | 2022-07-05 | — | — | CN | disclosed |