Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CTSV | O60911 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6531687 | 0.95 | KDM4E (0.56) | KDM4EALDH1A1HSD17B10HPGDRAB9A | |
| SCHEMBL6531808 | 0.90 | RAB9A (0.54) | KDM4EALDH1A1HSD17B10HPGDRAB9A | |
| SCHEMBL6532758 | 0.83 | HTT (0.51) | KDM4EALDH1A1HSD17B10HPGDRAB9A | |
| SCHEMBL9285803 | 0.81 | KDM4E (0.54) | KDM4EALDH1A1HSD17B10HPGDRAB9A | |
| SCHEMBL8998008 | 0.78 | KDM4E (0.72) | KDM4EALDH1A1HSD17B10HPGDRAB9A | |
| SCHEMBL27691174 | 0.76 | KDM4E (0.63) | KDM4EALDH1A1HSD17B10HPGDRAB9A | |
| SCHEMBL28785846 | 0.76 | KDM4E (0.55) | KDM4EALDH1A1HSD17B10HPGDRAB9A | |
| SCHEMBL15338397 | 0.75 | RAB9A (0.77) | KDM4EALDH1A1HSD17B10HPGDRAB9A | |
| SCHEMBL29722594 | 0.75 | RAB9A (0.77) | KDM4EALDH1A1HSD17B10HPGDRAB9A | |
| SCHEMBL2929140 | 0.74 | AHR (0.55) | KDM4EALDH1A1HSD17B10HPGDRAB9A |
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-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |