Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 4/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9636590 | 0.77 | PARP1 (0.53) | TSHRLMNAHSD17B10ALDH1A1SMN1; SMN2 | |
| SCHEMBL30468213 | 0.73 | IDO1 (0.48) | IDO1TSHRLMNARAB9AMEN1 | |
| SCHEMBL29051604 | 0.73 | IDO1 (0.48) | IDO1TSHRLMNARAB9AMEN1 | |
| SCHEMBL21311879 | 0.72 | TSHR (0.41) | TSHRLMNAMEN1KMT2APARP1 | |
| SCHEMBL9635301 | 0.72 | RYR2 (0.35) | TSHRLMNAHSD17B10ALDH1A1GAA | |
| SCHEMBL29051608 | 0.71 | IDO1 (0.47) | IDO1TSHRLMNARAB9AMEN1 | |
| SCHEMBL30468205 | 0.71 | IDO1 (0.47) | IDO1TSHRLMNARAB9AMEN1 | |
| SCHEMBL29051627 | 0.71 | IDO1 (0.47) | IDO1TSHRLMNARAB9AMEN1 | |
| SCHEMBL30468219 | 0.71 | IDO1 (0.47) | IDO1TSHRLMNARAB9AMEN1 | |
| SCHEMBL27233112 | 0.71 | IDO1 (0.47) | IDO1TSHRLMNARAB9AMEN1 |
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-2019161781-A1 | RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF | 北京泰德制药股份有限公司 | 2019-08-29 | — | — | WO | disclosed |