Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | KDM6B | O15054 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2493442 | 0.82 | TSHR (0.50) | TSHRHTTCNR2HPGDCYP2C9 | |
| SCHEMBL4761103 | 0.80 | TSHR (0.53) | TSHRHTTCNR2HPGDCYP2C9 | |
| SCHEMBL993102 | 0.78 | HPGD (0.65) | TSHRHTTCNR2HPGDCYP2C9 | |
| SCHEMBL309485 | 0.78 | TLR8 (0.53) | TSHRHTTCYP2C9CYP1A2CYP2C19 | |
| SCHEMBL20274421 | 0.77 | KDM4E (0.48) | HPGDL3MBTL1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL14577687 | 0.77 | TSHR (0.53) | TSHRHTTCNR2HPGDCYP2C9 | |
| SCHEMBL11416537 | 0.75 | CNR2 (0.55) | TSHRHTTCNR2HPGDCYP2C9 | |
| SCHEMBL28672732 | 0.75 | KDM4E (0.71) | TSHRHTTCNR2CYP1A2CYP2C19 | |
| SCHEMBL9279131 | 0.74 | KMT2A (0.56) | TSHRHTTCNR2HPGDCYP2C9 | |
| SCHEMBL466141 | 0.73 | PLK1 (0.63) | CNR2HPGDCYP2C9L3MBTL1CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018071622-A1 | 3-SULFONYL-5-AMINOPYRIDINE-2,4-DIOL APJ AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-04-19 | — | — | WO | disclosed |