Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | WRN | Q14191 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL16572379 | 0.74 | HSD11B1 (0.38) | ALDH1A1HTTMAOAKDM4EMAPT | |
| SCHEMBL15466074 | 0.73 | ALDH1A1 (0.36) | ALDH1A1HTTMAOAKDM4EMAPT | |
| SCHEMBL2318962 | 0.73 | ALDH1A1 (0.42) | ALDH1A1HTTMAOAKDM4EMAPT | |
| SCHEMBL11616927 | 0.73 | ALDH1A1 (0.42) | ALDH1A1HTTMAOAKDM4EMAPT | |
| SCHEMBL4580954 | 0.70 | GAA (0.43) | ALDH1A1HTTMAOAKDM4EMAPT | |
| SCHEMBL1765776 | 0.70 | PTGES (0.35) | ALDH1A1HTTMAOAKDM4EMAPT | |
| SCHEMBL4148665 | 0.70 | ALDH1A1 (0.36) | ALDH1A1HTTMAOAKDM4EMAPT | |
| SCHEMBL15418543 | 0.70 | HSD17B10 (0.35) | ALDH1A1HTTMAOAKDM4EMAPT | |
| SCHEMBL10932007 | 0.68 | ALDH1A1 (0.33) | ALDH1A1HTTMAOAKDM4EMAPT | |
| SCHEMBL9333439 | 0.68 | MEN1 (0.39) | ALDH1A1MAOAMAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4102896-A | Preparation of a 5-(2,2-dihalovinyl)-4,4-dimethyl-2-oxotetrahydrofuran | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-07-25 | — | — | US | disclosed |