Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2725729 | 0.79 | MAPT (0.59) | ALDH1A1AKR1C3HPGDMAPTLMNA | |
| SCHEMBL19185131 | 0.78 | NPC1 (0.41) | ALDH1A1HPGDMAPTLMNAHTT | |
| SCHEMBL15875403 | 0.78 | FAAH (0.36) | AKR1C3 | |
| SCHEMBL30166145 | 0.76 | ALDH1A1 (0.57) | ALDH1A1AKR1C3HPGDTSHRUSP2 | |
| SCHEMBL5444324 | 0.75 | ALDH1A1 (0.48) | ALDH1A1AKR1C3HPGDF10TSHR | |
| SCHEMBL17205684 | 0.75 | HPGD (0.48) | ALDH1A1AKR1C3HPGDBRD9F2 | |
| SCHEMBL15690212 | 0.75 | LMNA (0.45) | ALDH1A1AKR1C3HPGDLMNAF2 | |
| SCHEMBL11142367 | 0.74 | ALDH1A1 (0.74) | ALDH1A1AKR1C3HPGDTSHR | |
| SCHEMBL19112765 | 0.73 | TP53 (0.45) | ALDH1A1AKR1C3HPGDLMNABRD9 | |
| SCHEMBL29930316 | 0.73 | ALDH1A1 (0.62) | ALDH1A1AKR1C3HPGDMAPTLMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111170930-B | Simple preparation method of 5, 6-dihydropyridine-2 (1H) -ketone derivative | 新发药业有限公司 | 2021-09-07 | — | — | CN | disclosed |
| CN-111170992-B | Preparation method of 5, 6-dihydropyridine-2 (1H) -ketone derivative | 新发药业有限公司 | 2021-05-14 | — | — | CN | disclosed |
| CN-111170930-A | Simple preparation method of 5, 6-dihydropyridine-2 (1H) -ketone derivative | 新发药业有限公司 | 2020-05-19 | — | — | CN | disclosed |
| CN-111170992-A | Preparation method of 5, 6-dihydropyridine-2 (1H) -ketone derivative | 新发药业有限公司 | 2020-05-19 | — | — | CN | disclosed |
| WO-2016020711-A1 | PROCESS FOR THE PREPARATION OF APIXABAN | EGIS GYÓGYSZERGYÁR ZRT. (HU) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016020711-A1 | PROCESS FOR THE PREPARATION OF APIXABAN | EGIS GYÓGYSZERGYÁR ZRT. (HU) | 2016-02-11 | — | — | WO | disclosed |