Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13664708 | 0.91 | LMNA (0.42) | SLC6A3SLC6A2GAAHTTNPSR1 | |
| SCHEMBL5556432 | 0.74 | LMNA (0.46) | SLC6A3SLC6A2GAAHTTNPSR1 | |
| SCHEMBL613293 | 0.73 | HTR2C (0.62) | SLC6A3SLC6A2GABRA1GABRG2GABRB3 | |
| SCHEMBL11231226 | 0.72 | SLC6A4 (0.47) | SLC6A3SLC6A2ALDH1A1HTR1ACYP2D6 | |
| Hydrochloric Acid SCHEMBL1458622 | 0.71 | HTR2C (0.64) | SLC6A3SLC6A2GABRA1GABRG2GABRB3 | |
| SCHEMBL13664709 | 0.71 | HTR3A (0.46) | SLC6A3SLC6A2SLC6A4HTR3A | |
| SCHEMBL2410760 | 0.70 | HTR3A (0.62) | SLC6A3SLC6A2DRD2HTR1ACYP2D6 | |
| SCHEMBL18616621 | 0.70 | SLC6A3 (0.42) | SLC6A3SLC6A2GAAHTTNPSR1 | |
| Hydrochloric Acid SCHEMBL4573020 | 0.69 | HTR3A (0.61) | SLC6A3SLC6A2DRD2CYP2D6HTR2C | |
| SCHEMBL13664746 | 0.69 | GABRA1 (0.39) | SLC6A3SLC6A2MAPTDRD2GABRA1 |
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-2017040449-A1 | TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-03-09 | — | — | WO | disclosed |