Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.38 |
| ▸ | CDK9 | P50750 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL16336506 | 0.87 | GAA (0.35) | ALDH1A1HPGDNPSR1CCNT1CDK9 | |
| SCHEMBL29709546 | 0.86 | LMNA (0.44) | ALDH1A1HPGDCCNT1CDK9LMNA | |
| SCHEMBL16336992 | 0.86 | LMNA (0.44) | ALDH1A1HPGDCCNT1CDK9LMNA | |
| SCHEMBL16337131 | 0.82 | CCNT1 (0.36) | ALDH1A1HPGDNPSR1CCNT1CDK9 | |
| SCHEMBL16337130 | 0.82 | CCNT1 (0.36) | ALDH1A1HPGDNPSR1CCNT1CDK9 | |
| SCHEMBL16336476 | 0.80 | TSHR (0.35) | ALDH1A1CCNT1CDK9LMNAMEN1 | |
| SCHEMBL16336477 | 0.80 | TSHR (0.35) | ALDH1A1CCNT1CDK9LMNAMEN1 | |
| SCHEMBL16386534 | 0.73 | HTR6 (0.47) | ALDH1A1HPGDNPSR1LMNAMEN1 | |
| SCHEMBL16336344 | 0.72 | LMNA (0.37) | ALDH1A1CCNT1CDK9LMNATHRB | |
| SCHEMBL17535006 | 0.69 | CCNT1 (0.65) | CCNT1CDK9 |
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-2014210255-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | ABBVIE INC. (US) | 2014-12-31 | — | — | WO | disclosed |