Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 8/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21335646 | 0.87 | MAOA (0.49) | MAOADRD2TSHRHSD17B10KDM4E | |
| SCHEMBL20884606 | 0.87 | MAOA (0.51) | MAOADRD2TSHRHSD17B10KDM4E | |
| SCHEMBL20672036 | 0.83 | MAOA (0.47) | MAOADRD2TSHRHSD17B10KDM4E | |
| SCHEMBL25920451 | 0.80 | ADRB2 (0.55) | DRD2KDM4EDRD4KDM1AGAA | |
| SCHEMBL20883964 | 0.78 | KDM1A (0.47) | DRD2KDM4EDRD4KDM1AGAA | |
| SCHEMBL7820935 | 0.77 | MAOA (0.56) | MAOADRD2TSHRHSD17B10KDM4E | |
| SCHEMBL1009166 | 0.76 | ALDH1A1 (0.48) | MAOADRD2TSHRHSD17B10KDM4E | |
| SCHEMBL24529091 | 0.76 | CYP4F2 (0.47) | MAOADRD2TSHRHSD17B10KDM4E | |
| SCHEMBL22680298 | 0.76 | MAOA (0.54) | MAOADRD2TSHRHSD17B10KDM4E | |
| SCHEMBL21959060 | 0.76 | MAOA (0.64) | MAOADRD2TSHRHSD17B10KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017205193-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-11-30 | — | — | WO | disclosed |
| WO-2017040449-A1 | TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-03-09 | — | — | WO | disclosed |