Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | WDR5 | P61964 | 1/20 | 0.46 |
| ▸ | S100A4 | P26447 | 1/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.45 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | TNF | P01375 | 2/20 | 0.44 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1287816 | 0.89 | WDR5 (0.59) | TSHRCYP3A4NCEH1ALDH1A1WDR5 | |
| SCHEMBL2681965 | 0.86 | NCEH1 (0.51) | TSHRCYP3A4NCEH1ALDH1A1MEN1 | |
| SCHEMBL1287810 | 0.82 | NCEH1 (0.57) | TSHRCYP3A4NCEH1ALDH1A1TNF | |
| SCHEMBL26054329 | 0.82 | TSHR (0.55) | TSHRCYP3A4NCEH1ALDH1A1WDR5 | |
| SCHEMBL15106821 | 0.82 | CYP3A4 (0.45) | TSHRCYP3A4NCEH1ALDH1A1TNF | |
| SCHEMBL15106772 | 0.82 | MAPK1 (0.52) | TSHRCYP3A4NCEH1ALDH1A1MEN1 | |
| SCHEMBL17060428 | 0.79 | TSHR (0.55) | TSHRCYP3A4NCEH1ALDH1A1WDR5 | |
| SCHEMBL17060426 | 0.79 | TSHR (0.55) | TSHRCYP3A4NCEH1ALDH1A1WDR5 | |
| SCHEMBL2681473 | 0.79 | MAPT (0.52) | TSHRCYP3A4NCEH1ALDH1A1MEN1 | |
| SCHEMBL15106825 | 0.79 | ABCC9 (0.44) | TSHRCYP3A4NCEH1ALDH1A1TNF |
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 |
|---|---|---|---|---|---|---|---|
| CN-103201270-A | P2x4 receptor antagonist | NIPPON CHEMIPHAR CO | 2013-07-10 | — | — | CN | disclosed |