Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALPG | P10696 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL543156 | 0.88 | TSHR (0.47) | TSHRPOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20973053 | 0.84 | MEN1 (0.51) | TSHRNPC1RAB9AMETAP2KDM4E | |
| SCHEMBL1354309 | 0.83 | TSHR (0.49) | TSHRPOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2267035 | 0.82 | TSHR (0.47) | TSHRPOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21458300 | 0.82 | TSHR (0.47) | TSHRPOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31211411 | 0.82 | TSHR (0.47) | TSHRPOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29240288 | 0.80 | HDAC6 (0.38) | NPC1RAB9ASMN1; SMN2METAP2CYP1A2 | |
| SCHEMBL25103996 | 0.78 | TSHR (0.44) | TSHRPOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30929191 | 0.78 | TSHR (0.44) | TSHRPOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31639018 | 0.78 | TSHR (0.48) | TSHRPOLBNPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111606928-A | Azacyclodiketone compound and preparation method thereof | 维清生物科技(上海)有限公司 | 2020-09-01 | — | — | CN | disclosed |