Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 5/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8665542 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TSHROXER1ALOX5ACLY | |
| SCHEMBL8666739 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRACLYTRPA1FAAH | |
| SCHEMBL8666737 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRACLYTRPA1FAAH | |
| SCHEMBL9853620 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRACLYTRPA1FAAH | |
| SCHEMBL9835413 | 0.81 | TRPA1 (0.38) | ALDH1A1TSHRTRPA1 | |
| SCHEMBL10520816 | 0.81 | TRPA1 (0.38) | ALDH1A1TSHRTRPA1 | |
| SCHEMBL31607965 | 0.80 | TSHR (0.48) | ALDH1A1TSHRACLYTRPA1FAAH | |
| SCHEMBL1782363 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRACLYTRPA1FAAH | |
| SCHEMBL1782360 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRACLYTRPA1FAAH | |
| SCHEMBL11249699 | 0.77 | TSHR (0.46) | TSHROXER1ALOX5ACLYFAAH |
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 |
|---|---|---|---|---|---|---|---|
| EP-0672686-B1 | GANGLIOSIDE GM3 DERIVATIVE HAVING FLUORINATED CERAMIDE MOIETY | DAIKIN IND LTD (JP) | 1998-12-16 | — | — | EP | disclosed |
| US-5583208-A | Ganglioside GM3 derivatives containing fluorine in ceramide portion | DAIKIN INDUSTRIES, LTD. (JP) | 1996-12-10 | — | — | US | disclosed |
| EP-0672686-A1 | GANGLIOSIDE GM3 DERIVATIVE HAVING FLUORINATED CERAMIDE MOIETY | DAIKIN INDUSTRIES, LIMITED (JP) | 1995-09-20 | — | — | EP | disclosed |