Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | CES2 | O00748 | 1/20 | 0.59 |
| ▸ | CES1 | P23141 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10623574 | 0.87 | TSHR (0.70) | TSHRCES2CES1MAPTHSP90AA1 | |
| SCHEMBL193275 | 0.85 | TSHR (0.68) | TSHRCES2CES1MAPTHSP90AA1 | |
| SCHEMBL30443852 | 0.85 | TSHR (0.68) | TSHRCES2CES1MAPTHSP90AA1 | |
| SCHEMBL27808215 | 0.84 | TSHR (0.66) | TSHRCES2CES1MAPTHSP90AA1 | |
| SCHEMBL1981486 | 0.83 | KMT2A (0.67) | TSHRCES2CES1MAPTHSP90AA1 | |
| SCHEMBL1026971 | 0.81 | TSHR (0.62) | TSHRCES2CES1MAPTHSP90AA1 | |
| SCHEMBL28088183 | 0.81 | HSP90AA1 (0.66) | TSHRCES2CES1MAPTHSP90AA1 | |
| SCHEMBL26456498 | 0.81 | PDK1 (0.61) | TSHRMAPTSMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL17303445 | 0.81 | TSHR (0.77) | TSHRCES2CES1MAPTSMN1; SMN2 | |
| SCHEMBL10623585 | 0.80 | CES2 (0.71) | TSHRCES2CES1MAPTHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102803245-B | As P2X3And/or P2X2/3Antagonistic indole, indazole and benzimidazole aryl amides | HOFFMANN LA ROCHE | 2015-02-11 | — | — | CN | disclosed |