Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.53 |
| ▸ | ERN1 | O75460 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | STAT3 | P40763 | 1/20 | 0.48 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27886134 | 0.85 | ERN1 (0.57) | GPR3ERN1ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL7453676 | 0.82 | GPR3 (0.59) | GPR3ERN1ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL427733 | 0.80 | GPR3 (0.57) | GPR3ERN1ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL538767 | 0.80 | KDM4E (0.40) | GPR3ERN1ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL2126320 | 0.80 | PDE10A (0.59) | GPR3ERN1ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL28142598 | 0.79 | MAPT (0.55) | GPR3ALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL13861866 | 0.77 | GPR3 (0.53) | GPR3ERN1ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL12989093 | 0.77 | GPR3 (0.53) | GPR3ERN1ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL28220555 | 0.77 | ALDH1A1 (0.58) | GPR3ALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL12877170 | 0.77 | GPR3 (0.53) | GPR3ERN1ALDH1A1KDM4ECYP1A2 |
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-108137547-A | It can be used as the heterocyclic compound of TNF α conditioning agent | 百时美施贵宝公司 | 2018-06-08 | — | — | CN | disclosed |