Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19016906 | 0.84 | SLC6A2 (0.40) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23489934 | 0.84 | SLC6A2 (0.40) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5594562 | 0.78 | GABRA1 (0.46) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6829891 | 0.77 | LMNA (0.47) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8755569 | 0.77 | TSHR (0.45) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27898551 | 0.76 | CHRM2 (0.36) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25918194 | 0.76 | CYP3A4 (0.35) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11073160 | 0.76 | LMNA (0.38) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13221141 | 0.74 | CYP3A4 (0.34) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11202394 | 0.74 | CYP3A4 (0.37) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9758492-B2 | IDO inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-12 | — | — | US | disclosed |