Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | TSHR | P16473 | 5/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 5/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.59 |
| ▸ | CASP1 | P29466 | 3/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.59 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24030622 | 0.80 | HSD17B10 (0.50) | ALDH1A1TSHRHSD17B10HPGDMAPK1 | |
| SCHEMBL12179524 | 0.80 | HKDC1 (0.62) | ALDH1A1TSHRHSD17B10HPGDMAPK1 | |
| SCHEMBL14380347 | 0.77 | TYMS (0.51) | ALDH1A1TSHRHSD17B10HPGDMAPK1 | |
| SCHEMBL25036229 | 0.77 | TSHR (0.47) | ALDH1A1TSHRHSD17B10HPGDMAPK1 | |
| SCHEMBL19308940 | 0.77 | CYP1A2 (0.48) | ALDH1A1TSHRHSD17B10HPGDMAPK1 | |
| SCHEMBL22635004 | 0.76 | PABPC1 (0.78) | ALDH1A1TSHRHSD17B10HPGDMAPK1 | |
| Benzo[B]Fluoranthene SCHEMBL175779 | 0.74 | ALDH1A1 (1.00) | ALDH1A1TSHRHSD17B10HPGDMAPK1 | |
| Benzo[B]Fluoranthene SCHEMBL30626366 | 0.74 | ALDH1A1 (1.00) | ALDH1A1TSHRHSD17B10HPGDMAPK1 | |
| Benzo[B]Fluoranthene SCHEMBL29503670 | 0.74 | ALDH1A1 (1.00) | ALDH1A1TSHRHSD17B10HPGDMAPK1 | |
| Benzo[B]Fluoranthene SCHEMBL29373899 | 0.74 | ALDH1A1 (1.00) | ALDH1A1TSHRHSD17B10HPGDMAPK1 |
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-0431452-A2 | Method for the optical distinction of dental materials and material used in this method | IVOCLAR AG (LI) | 1991-06-12 | — | — | EP | disclosed |