Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | TSHR | P16473 | 9/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.40 |
| ▸ | HPGD | P15428 | 6/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 2/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27735630 | 0.89 | GABBR2 (0.40) | KDM4EALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL3113335 | 0.86 | PDE4A (0.41) | KDM4EALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL3110556 | 0.85 | ADORA3 (0.50) | KDM4EALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL3123037 | 0.83 | PDE5A (0.48) | KDM4EALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL3122459 | 0.80 | TP53 (0.49) | KDM4EALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL3110916 | 0.80 | PDE4A (0.42) | KDM4EALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL27735613 | 0.79 | GABBR2 (0.56) | ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL3126761 | 0.78 | ADORA3 (0.55) | KDM4EALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL3108180 | 0.78 | GABBR2 (0.41) | KDM4EALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL3121937 | 0.78 | GABBR2 (0.52) | — |
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-101193868-A | Pyrimidine derivatives for the treatment of GABA B mediated nervous system disorders | NOVARTIS AG (CH) | 2008-06-04 | — | — | CN | disclosed |