Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.44 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28256240 | 0.98 | SIGMAR1 (0.53) | SIGMAR1HRH3ALDH1A1TDP1POLB | |
| SCHEMBL4467619 | 0.86 | TDP1 (0.60) | SIGMAR1HRH3ALDH1A1TDP1MEN1 | |
| SCHEMBL10511597 | 0.84 | TDP1 (0.58) | SIGMAR1HRH3ALDH1A1TDP1MEN1 | |
| SCHEMBL10370020 | 0.84 | SIGMAR1 (0.51) | SIGMAR1HRH3ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL491549 | 0.80 | KDM4E (0.57) | SIGMAR1HRH3ALDH1A1POLBMAPT | |
| SCHEMBL10509958 | 0.79 | HRH3 (0.55) | SIGMAR1HRH3ALDH1A1TDP1MAPT | |
| SCHEMBL2926534 | 0.75 | TDP1 (0.68) | TDP1MAPTSMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9734358 | 0.75 | HRH3 (0.54) | SIGMAR1HRH3ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL10511034 | 0.75 | CYP2D6 (0.59) | SIGMAR1HRH3 | |
| SCHEMBL10577399 | 0.74 | LTA4H (0.49) | SIGMAR1HRH3ALDH1A1TDP1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109111407-A | A kind of benzo isoxazole class compound derivatives and its application | 江苏恩华药业股份有限公司 | 2019-01-01 | — | — | CN | claimed |
| CN-109111407-A | A kind of benzo isoxazole class compound derivatives and its application | 江苏恩华药业股份有限公司 | 2019-01-01 | — | — | CN | disclosed |