Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.46 |
| ▸ | IDH1 | O75874 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19669631 | 0.83 | RORC (0.57) | CYP1A2CYP2C19NPSR1POLBALDH1A1 | |
| SCHEMBL21893436 | 0.82 | CYP11B2 (0.51) | CYP11B1CYP11B2IDH1GABRG2GABRB3 | |
| SCHEMBL8146771 | 0.81 | CYP11B2 (0.50) | MAPTCYP11B1CYP11B2GABRA5PDE3B | |
| SCHEMBL19669650 | 0.80 | NOS3 (0.51) | CYP1A2CYP2C19NPSR1POLBALDH1A1 | |
| SCHEMBL19669654 | 0.80 | TSHR (0.51) | CYP1A2CYP2C19NPSR1POLBALDH1A1 | |
| SCHEMBL19669648 | 0.79 | TSHR (0.45) | CYP1A2CYP2C19NPSR1POLBALDH1A1 | |
| SCHEMBL19669633 | 0.79 | CYP3A4 (0.52) | CYP1A2CYP2C19NPSR1POLBMAPT | |
| SCHEMBL19669647 | 0.78 | ITGB3 (0.63) | — | |
| SCHEMBL6532124 | 0.78 | NPC1 (0.60) | POLBALDH1A1MAPTMAOASMN1; SMN2 | |
| SCHEMBL17479101 | 0.76 | RAB9A (0.48) | NPSR1POLBALDH1A1MAPTSMN1; SMN2 |
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-9834520-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-12-05 | — | — | US | disclosed |