Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HBB | P68871 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5433591 | 0.81 | KCNH2 (0.41) | ALDH1A1CES1CES2HTTMAPK1 | |
| SCHEMBL3643052 | 0.77 | TSHR (0.40) | MAPTALDH1A1CES1ALOX15CES2 | |
| SCHEMBL10738647 | 0.77 | TDP1 (0.33) | GSK3BPTPN1TDP1GAA | |
| SCHEMBL4959086 | 0.75 | CES1 (0.39) | GSK3BPTPN1TDP1MAPTALDH1A1 | |
| SCHEMBL136598 | 0.74 | MAPT (0.41) | GSK3BTDP1MAPTALDH1A1CES1 | |
| SCHEMBL7423415 | 0.73 | CES1 (0.38) | GSK3BPTPN1TDP1MAPTALDH1A1 | |
| SCHEMBL659656 | 0.73 | GSK3B (0.41) | GSK3BPTPN1TDP1MAPTALDH1A1 | |
| SCHEMBL993045 | 0.73 | CES1 (0.45) | GSK3BPTPN1TDP1MAPTALDH1A1 | |
| SCHEMBL8899432 | 0.73 | GSK3B (0.39) | GSK3BPTPN1TDP1MAPTALDH1A1 | |
| SCHEMBL3041972 | 0.72 | TSHR (0.41) | MAPTALDH1A1CES1ALOX15CES2 |
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-2004085394-A1 | 7-NITROINDOLINE DERIVATIVES AND THEIR USES | MEDICAL RESEARCH COUNCIL (GB) | 2004-10-07 | — | — | WO | disclosed |