Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | GABRP | O00591 | 1/20 | 0.49 |
| ▸ | GABRD | O14764 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30746806 | 0.90 | ALDH1A1 (0.74) | ALDH1A1KDM4ETSHRHSD17B10NPC1 | |
| SCHEMBL29173719 | 0.90 | ALDH1A1 (0.74) | ALDH1A1KDM4ETSHRHSD17B10NPC1 | |
| SCHEMBL13450536 | 0.84 | ALDH1A1 (0.78) | ALDH1A1KDM4ETSHRHSD17B10NPC1 | |
| SCHEMBL30099678 | 0.83 | ALDH1A1 (1.00) | ALDH1A1KDM4ETSHRHSD17B10NPC1 | |
| SCHEMBL1061607 | 0.83 | ALDH1A1 (1.00) | ALDH1A1KDM4ETSHRHSD17B10NPC1 | |
| SCHEMBL29350132 | 0.82 | ALDH1A1 (0.74) | ALDH1A1KDM4ETSHRHSD17B10NPC1 | |
| SCHEMBL1056622 | 0.82 | ALDH1A1 (0.74) | ALDH1A1KDM4ETSHRHSD17B10NPC1 | |
| SCHEMBL14829909 | 0.80 | ALDH1A1 (0.80) | ALDH1A1KDM4ETSHRHSD17B10NPC1 | |
| SCHEMBL8786604 | 0.80 | KDM4E (0.70) | ALDH1A1KDM4ETSHRHSD17B10NPC1 | |
| SCHEMBL14780906 | 0.78 | FEN1 (0.54) | ALDH1A1KDM4EHSD17B10MEN1POLB |
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-8399449-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-03-19 | — | — | US | disclosed |