Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 7/20 | 0.36 |
| ▸ | CA9 | Q16790 | 6/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8651573 | 0.88 | HDAC3 (0.34) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| SCHEMBL8647750 | 0.88 | HDAC3 (0.34) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| SCHEMBL8628950 | 0.84 | CA2 (0.36) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| Trifluoromethanesulfonic Acid SCHEMBL8631985 | 0.83 | ALDH1A1 (0.41) | ALDH1A1ALOX15TSHRHSD17B10KDM4E | |
| SCHEMBL8643870 | 0.83 | KDM4E (0.31) | ALDH1A1HSD17B10KDM4ELMNAMAPT | |
| SCHEMBL8643873 | 0.83 | APP (0.41) | ALDH1A1TSHRHSD17B10KDM4ERAB9A | |
| SCHEMBL8647792 | 0.82 | GRM2 (0.32) | — | |
| SCHEMBL8644624 | 0.82 | GRM2 (0.32) | — | |
| SCHEMBL8645498 | 0.82 | ELANE (0.40) | ALDH1A1KDM4ECA2CA9CA1 | |
| SCHEMBL8647752 | 0.81 | PSEN1 (0.43) | ALDH1A1KDM4EMEN1NPC1RAB9A |
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 |