Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11789328 | 0.83 | TSHR (0.48) | TSHRALDH1A1HTTHPGDGAA | |
| SCHEMBL11789850 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HTTLMNAHPGDGAA | |
| SCHEMBL10153632 | 0.77 | PREP (0.45) | TSHRALDH1A1HPGDKMT2AKDM4E | |
| SCHEMBL9952800 | 0.76 | ATM (0.42) | ALDH1A1LMNAHPGDGAAKMT2A | |
| SCHEMBL31653964 | 0.75 | TSHR (0.59) | TSHRALDH1A1HTTLMNAGAA | |
| SCHEMBL9958705 | 0.74 | HDAC4 (0.62) | TSHRALDH1A1HTTLMNAHPGD | |
| SCHEMBL10153699 | 0.73 | TSHR (0.57) | TSHRALDH1A1HTTLMNAGAA | |
| SCHEMBL19380301 | 0.72 | HDAC3 (0.40) | TSHRALDH1A1GAAKMT2AHSD17B10 | |
| SCHEMBL19380274 | 0.72 | HDAC4 (0.44) | TSHRALDH1A1HTTLMNAGAA | |
| SCHEMBL10154010 | 0.72 | MAPT (0.44) | TSHRHTTKMT2AHSD17B10KDM4E |
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-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |