Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL444372 | 1.00 | TSHR (0.46) | TSHRTDP1TRPA1LMNAL3MBTL1 | |
| SCHEMBL10686170 | 0.82 | TSHR (0.46) | TSHRTDP1TRPA1LMNAL3MBTL1 | |
| SCHEMBL12518823 | 0.78 | TSHR (0.42) | TSHRTDP1TRPA1LMNAL3MBTL1 | |
| SCHEMBL16074683 | 0.78 | TSHR (0.48) | TSHRTDP1TRPA1LMNAL3MBTL1 | |
| SCHEMBL12079309 | 0.77 | ALDH1A1 (0.39) | TSHRTDP1TRPA1LMNAALDH1A1 | |
| SCHEMBL5509376 | 0.77 | ALDH1A1 (0.39) | TSHRTDP1TRPA1LMNAALDH1A1 | |
| SCHEMBL1789330 | 0.77 | ALDH1A1 (0.39) | TSHRTDP1TRPA1LMNAALDH1A1 | |
| SCHEMBL1328939 | 0.77 | — | — | |
| SCHEMBL45749 | 0.77 | — | — | |
| SCHEMBL5505711 | 0.77 | ALDH1A1 (0.39) | TSHRTDP1TRPA1LMNAALDH1A1 |
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-2017093915-A1 | IMPROVING THE IGNITION QUALITY OF FUELS | KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) | 2017-06-08 | — | — | WO | disclosed |