Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23092043 | 0.83 | ALDH1A1 (0.36) | ALDH1A1KDM4ETP53HPGDHSD17B10 | |
| SCHEMBL113909 | 0.83 | ALDH1A1 (0.36) | ALDH1A1KDM4ETP53HPGDHSD17B10 | |
| SCHEMBL10886647 | 0.78 | HSP90AA1 (0.36) | ALDH1A1KDM4ETSHRMAPTLMNA | |
| SCHEMBL9798347 | 0.77 | GAA (0.37) | ALDH1A1KDM4ETP53HPGDHSD17B10 | |
| SCHEMBL10891280 | 0.71 | TSHR (0.36) | ALDH1A1KDM4ETP53HPGDHSD17B10 | |
| SCHEMBL5266401 | 0.71 | CYP1A2 (0.32) | — | |
| SCHEMBL1725501 | 0.70 | TSHR (0.39) | ALDH1A1KDM4ETP53HPGDHSD17B10 | |
| SCHEMBL1726005 | 0.70 | TSHR (0.39) | ALDH1A1KDM4ETP53HPGDHSD17B10 | |
| SCHEMBL11051483 | 0.70 | TSHR (0.39) | ALDH1A1KDM4ETP53HPGDHSD17B10 | |
| SCHEMBL11447479 | 0.69 | CYP1A2 (0.32) | — |
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-4570648-A | Flavorants containing esters of 2,3,6,6-tetramethylcyclohexenyl carboxylic acids | GIVAUDAN CORPORATION (US) | 1986-02-18 | — | — | US | disclosed |
| US-4474687-A | PERFUMES, FLAYORS | GIVAUDAN CORPORATION (US) | 1984-10-02 | — | — | US | disclosed |
| US-4375001-A | ORGANOLEPTIC AGENT | GIVAUDAN CORPORATION | 1983-02-22 | — | — | US | disclosed |