Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 1.00 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.43 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.43 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12788041 | 1.00 | ALDH1A1 (1.00) | ALDH1A1PKMCYP1A2TSHRNPSR1 | |
| SCHEMBL27379522 | 0.98 | ALDH1A1 (0.97) | ALDH1A1PKMCYP1A2TSHRNPSR1 | |
| SCHEMBL976017 | 0.90 | ALDH1A1 (0.81) | ALDH1A1PKMCYP1A2TSHRNPSR1 | |
| SCHEMBL10091749 | 0.87 | ALDH1A1 (0.77) | ALDH1A1PKMCYP1A2TSHRMAPT | |
| SCHEMBL2634390 | 0.85 | ALDH1A1 (0.74) | ALDH1A1CYP1A2TSHRNPSR1MAPT | |
| SCHEMBL38657948 | 0.85 | ALDH1A1 (0.74) | ALDH1A1CYP1A2TSHRNPSR1MAPT | |
| SCHEMBL2353735 | 0.85 | ALDH1A1 (0.74) | ALDH1A1CYP1A2TSHRNPSR1MAPT | |
| SCHEMBL28254105 | 0.84 | ALDH1A1 (0.72) | ALDH1A1PKMCYP1A2TSHRNPSR1 | |
| SCHEMBL4558503 | 0.84 | ALDH1A1 (0.72) | ALDH1A1CYP1A2TSHRNPSR1MAPT | |
| SCHEMBL28650132 | 0.83 | ALDH1A1 (0.71) | ALDH1A1PKMCYP1A2TSHRNPSR1 |
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-112724066-B | Dihalogen impurity in ziprasidone hydrochloride intermediate and preparation method thereof | 海南鑫开源医药科技有限公司 | 2022-10-21 | — | — | CN | claimed |
| CN-112724066-B | Dihalogen impurity in ziprasidone hydrochloride intermediate and preparation method thereof | 海南鑫开源医药科技有限公司 | 2022-10-21 | — | — | CN | disclosed |