Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 7/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | MLYCD | O95822 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.33 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8913169 | 0.83 | AR (0.38) | ARKCNH2MLYCDHTTATM | |
| SCHEMBL8913140 | 0.81 | MLYCD (0.36) | KCNH2MLYCDTDP1 | |
| SCHEMBL8771996 | 0.73 | AR (0.44) | ARKCNH2HTTMAPTATM | |
| SCHEMBL9031916 | 0.68 | ITGB1 (0.38) | MAPTITGB1ITGA5ATMTDP1 | |
| SCHEMBL31423374 | 0.68 | TDP1 (0.45) | ARKCNH2HTTMAPTATM | |
| SCHEMBL15971307 | 0.68 | TDP1 (0.45) | ARKCNH2HTTMAPTATM | |
| SCHEMBL8772070 | 0.66 | AR (0.42) | ARHTTMAPTATMTDP1 | |
| SCHEMBL28376682 | 0.65 | LMNA (0.46) | HTTMAPTITGB1ITGA5ALDH1A1 | |
| SCHEMBL27822311 | 0.65 | KMT2A (0.40) | HTTMAPTATML3MBTL1MAPK1 | |
| SCHEMBL30435606 | 0.65 | HPD (0.45) | MAPTMAPK1TDP1ALDH1A1LMNA |
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-5686492-A | NMR DIAGNOSTIC AGENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-11-11 | — | — | US | disclosed |