Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | THPO | P40225 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CETP | P11597 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | UBE2N | P61088 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11049813 | 1.00 | SPHK1 (0.35) | SPHK1TSHRCYP2D6GMNNLMNA | |
| SCHEMBL29124838 | 0.80 | SPHK1 (0.41) | SPHK1TSHRCYP2D6GMNNLMNA | |
| SCHEMBL11030749 | 0.75 | — | — | |
| SCHEMBL11030765 | 0.75 | — | — | |
| SCHEMBL17111423 | 0.75 | SPHK1 (0.50) | SPHK1CYP2D6GMNNLMNAPOLB | |
| SCHEMBL15419120 | 0.74 | SPHK1 (0.48) | SPHK1TSHRCYP2D6GMNNLMNA | |
| SCHEMBL11049817 | 0.73 | — | — | |
| SCHEMBL11043162 | 0.72 | TSHR (0.39) | TSHR | |
| SCHEMBL11043159 | 0.72 | TSHR (0.39) | TSHR | |
| SCHEMBL28835360 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0045861-B1 | UNSATURATED COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE AS PERFUMES AND THE PERFUMED COMPOSITIONS CONTAINING THEM | L. GIVAUDAN & CIE Société Anonyme (CH) | 1984-10-03 | — | — | EP | claimed |