Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8914155 | 0.83 | AR (0.37) | ARALDH1A1TDP1TSHRKCNH2 | |
| SCHEMBL8771996 | 0.79 | AR (0.44) | ARALDH1A1TDP1TSHRCASP6 | |
| SCHEMBL8772070 | 0.71 | AR (0.42) | ARALDH1A1TDP1CASP6ATM | |
| SCHEMBL31423374 | 0.70 | TDP1 (0.45) | ARALDH1A1TDP1TSHRCASP6 | |
| SCHEMBL15971307 | 0.70 | TDP1 (0.45) | ARALDH1A1TDP1TSHRCASP6 | |
| SCHEMBL17802037 | 0.69 | MLYCD (0.38) | ALDH1A1KDM4ETDP1MLYCD | |
| SCHEMBL8772012 | 0.69 | AR (0.40) | ARALDH1A1TDP1TSHRCASP6 | |
| SCHEMBL29449838 | 0.67 | TDP1 (0.49) | ARALDH1A1TDP1TSHRCASP6 | |
| SCHEMBL3291265 | 0.67 | TDP1 (0.49) | ARALDH1A1TDP1TSHRCASP6 | |
| SCHEMBL27891591 | 0.67 | ALDH1A1 (0.43) | ARALDH1A1TDP1TSHRCASP6 |
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 |