Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 2/20 | 0.39 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL8078870 | 0.87 | HSP90AA1 (0.34) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL8069550 | 0.87 | HSP90AA1 (0.34) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL8592503 | 0.86 | CA2 (0.40) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| SCHEMBL8633436 | 0.84 | ALDH1A1 (0.36) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| SCHEMBL8634487 | 0.83 | ALDH1A1 (0.37) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL36224 | 0.79 | GPR3 (0.44) | ALDH1A1CA2CA9CA12MEN1 | |
| SCHEMBL8628796 | 0.79 | APP (0.44) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| SCHEMBL8629125 | 0.78 | HDAC6 (0.40) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| SCHEMBL246007 | 0.78 | ALDH1A1 (0.65) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| SCHEMBL6140061 | 0.77 | ALDH1A1 (0.53) | ALDH1A1ALOX15TSHRHSD17B10KDM4E |
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-5705702-A | REACTING AN ARYL GRIGNARD REAGENT WITH THIONYL CHLORIDE, THEN WITH TRIORGANOSILYL SULFONATE OR TRIORGANOSILYLHALIDE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-01-06 | — | — | US | disclosed |