Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.85 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 6/20 | 0.40 |
| ▸ | PPARD | Q03181 | 6/20 | 0.40 |
| ▸ | PPARA | Q07869 | 6/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.40 |
| ▸ | TLR2 | O60603 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25274647 | 1.00 | TSHR (0.85) | TSHRHSD17B10CYP1A2CYP2D6MAPT | |
| SCHEMBL7199918 | 1.00 | TSHR (0.85) | TSHRHSD17B10CYP1A2CYP2D6MAPT | |
| SCHEMBL29950728 | 0.92 | TSHR (1.00) | TSHRHSD17B10CYP1A2CYP2D6MAPT | |
| SCHEMBL30302153 | 0.88 | TSHR (0.92) | TSHRHSD17B10CYP1A2CYP2D6MAPT | |
| SCHEMBL20346428 | 0.84 | TSHR (0.60) | TSHRHSD17B10CYP1A2CYP2D6MAPT | |
| SCHEMBL3489828 | 0.83 | — | — | |
| SCHEMBL25375085 | 0.82 | TSHR (0.68) | TSHRHSD17B10CYP1A2CYP2D6MAPT | |
| SCHEMBL6902041 | 0.80 | TSHR (0.67) | TSHRHSD17B10ALDH1A1LMNANFKB1 | |
| SCHEMBL7748806 | 0.80 | TSHR (0.67) | TSHRHSD17B10ALDH1A1LMNANFKB1 | |
| SCHEMBL21357404 | 0.80 | TSHR (0.67) | TSHRHSD17B10ALDH1A1LMNANFKB1 |
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-5290960-A | Diacetylenic phospholipids containing heteroatom near diacetylenic functionality for modulation of microstructure morphology | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1994-03-01 | — | — | US | disclosed |