Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL9253671 | 1.00 | TSHR (0.54) | TSHRTHRBLMNAALDH1A1SPHK1 | |
| Hexane SCHEMBL15251944 | 1.00 | TSHR (0.54) | TSHRTHRBLMNAALDH1A1SPHK1 | |
| Hexane SCHEMBL2466815 | 1.00 | TSHR (0.54) | TSHRTHRBLMNAALDH1A1SPHK1 | |
| Hexane SCHEMBL42593 | 1.00 | TSHR (0.54) | TSHRTHRBLMNAALDH1A1SPHK1 | |
| Hexane SCHEMBL9301737 | 1.00 | TSHR (0.54) | TSHRTHRBLMNAALDH1A1SPHK1 | |
| Hexane SCHEMBL23068705 | 1.00 | TSHR (0.54) | TSHRTHRBLMNAALDH1A1SPHK1 | |
| Hexane SCHEMBL9405694 | 1.00 | TSHR (0.54) | TSHRTHRBLMNAALDH1A1SPHK1 | |
| Hexane SCHEMBL2244744 | 1.00 | TSHR (0.54) | TSHRTHRBLMNAALDH1A1SPHK1 | |
| Hexane SCHEMBL9260176 | 1.00 | TSHR (0.54) | TSHRTHRBLMNAALDH1A1SPHK1 | |
| Hexane SCHEMBL5323113 | 1.00 | TSHR (0.54) | TSHRTHRBLMNAALDH1A1SPHK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010117064-A1 | COMPOUND HAVING HETERO RING SKELETON, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND USING THE AFOREMENTIONED COMPOUND AS ASYMMETRIC CATALYST | 国立大学法人京都大学 (JP) | 2010-10-14 | — | — | WO | disclosed |