Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11236134 | 0.88 | ALDH1A1 (0.43) | ALDH1A1HTTTDP1POLBSMN1; SMN2 | |
| SCHEMBL11233534 | 0.86 | TP53 (0.36) | TP53KMT2A | |
| SCHEMBL10918279 | 0.86 | ALDH1A1 (0.38) | ALDH1A1HTTTDP1POLBSMN1; SMN2 | |
| SCHEMBL11244219 | 0.85 | ALDH1A1 (0.38) | ALDH1A1HTTTDP1POLBSMN1; SMN2 | |
| SCHEMBL11247825 | 0.85 | ALDH1A1 (0.38) | ALDH1A1HTTTDP1POLBSMN1; SMN2 | |
| SCHEMBL11236245 | 0.83 | ALDH1A1 (0.39) | ALDH1A1HTTTDP1POLBSMN1; SMN2 | |
| SCHEMBL11247078 | 0.82 | ALDH1A1 (0.39) | ALDH1A1HTTTDP1POLBSMN1; SMN2 | |
| SCHEMBL11475088 | 0.82 | ALDH1A1 (0.36) | ALDH1A1HTTTDP1POLBSMN1; SMN2 | |
| SCHEMBL11236145 | 0.82 | ALDH1A1 (0.36) | ALDH1A1HTTTDP1POLBSMN1; SMN2 | |
| SCHEMBL11243230 | 0.82 | ALDH1A1 (0.39) | ALDH1A1HTTTDP1POLBSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4329460-A | ANTICANCER AGENTS, ANTIVIRAL AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1982-05-11 | — | — | US | claimed |
| EP-0057401-A1 | Aromatic heterocyclic esters of steroids, their preparation and pharmaceutical compositions containing them | SCHERING CORPORATION (US) | 1982-08-11 | — | — | EP | disclosed |
| US-4329460-A | ANTICANCER AGENTS, ANTIVIRAL AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1982-05-11 | — | — | US | disclosed |