Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | COMT | P21964 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL27325891 | 0.88 | TSHR (0.51) | TSHRCYP3A4HCAR3GPR35KDM4E | |
| SCHEMBL10936850 | 0.84 | TSHR (0.55) | TSHRCYP3A4HCAR3GPR35KDM4E | |
| SCHEMBL4554976 | 0.78 | TSHR (0.60) | TSHRCYP3A4HCAR3GPR35KDM4E | |
| SCHEMBL2036709 | 0.76 | TSHR (0.62) | TSHRCYP3A4HCAR3GPR35KDM4E | |
| SCHEMBL11613863 | 0.75 | TSHR (0.51) | TSHRCYP3A4HCAR3GPR35KDM4E | |
| SCHEMBL11744603 | 0.75 | TSHR (0.47) | TSHRCYP3A4HCAR3GPR35KDM4E | |
| SCHEMBL28248559 | 0.74 | TSHR (0.50) | TSHRCYP3A4HCAR3GPR35KDM4E | |
| SCHEMBL7041286 | 0.73 | TSHR (0.53) | TSHRCYP3A4HCAR3GPR35KDM4E | |
| SCHEMBL28361498 | 0.72 | TSHR (0.67) | TSHRCYP3A4GPR35KDM4EGAA | |
| SCHEMBL9769601 | 0.72 | ALDH1A1 (0.54) | TSHRCYP3A4HCAR3GPR35KDM4E |
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-101426778-A | N-substituted-azacyclylamines as histamine-3 antagonists | WYETH CORP (US) | 2009-05-06 | — | — | CN | disclosed |