Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28320187 | 0.83 | TSHR (0.42) | TSHRKDM4EALDH1A1GAAS1PR2 | |
| SCHEMBL28320225 | 0.83 | TSHR (0.42) | TSHRKDM4EALDH1A1GAAS1PR2 | |
| SCHEMBL28264568 | 0.74 | CA1 (0.40) | TSHRKDM4EALDH1A1NOTUML3MBTL1 | |
| SCHEMBL28162250 | 0.67 | TSHR (0.46) | TSHRKDM4EALDH1A1GAAS1PR2 | |
| SCHEMBL22434750 | 0.66 | TSHR (0.39) | TSHRKDM4EALDH1A1GAAGLA | |
| SCHEMBL27782462 | 0.66 | KDM4E (0.47) | TSHRKDM4EALDH1A1GAAS1PR2 | |
| SCHEMBL1233144 | 0.64 | TSHR (0.60) | TSHRKDM4EALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL29414118 | 0.63 | — | — | |
| SCHEMBL74392 | 0.63 | — | — | |
| SCHEMBL26714940 | 0.63 | TSHR (0.58) | TSHRKDM4EALDH1A1GAAHPGD |
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-105530932-B | Primary formamide as BTK inhibitor | 艾伯维公司 | 2019-09-27 | — | — | CN | disclosed |