Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28588269 | 0.91 | CA1 (0.40) | MEN1KMT2APABPC1CA1CA2 | |
| SCHEMBL19986534 | 0.82 | ALDH1A1 (0.46) | MEN1KMT2APABPC1AGTR1GRIN2A | |
| SCHEMBL19986473 | 0.82 | KMT2A (0.48) | MEN1KMT2APABPC1AGTR1GRIN2A | |
| SCHEMBL19986706 | 0.80 | HTR2A (0.44) | MEN1KMT2APABPC1AGTR1GRIN2A | |
| SCHEMBL19986620 | 0.74 | SMN1; SMN2 (0.33) | LMNATSHR | |
| SCHEMBL19986510 | 0.73 | LMNA (0.65) | MEN1KMT2AALDH1A1LMNATSHR | |
| SCHEMBL19986538 | 0.71 | KMT2A (0.60) | MEN1KMT2AALDH1A1LMNAPOLB | |
| SCHEMBL19986725 | 0.70 | KMT2A (0.46) | MEN1KMT2AALDH1A1LMNAPKM | |
| SCHEMBL19986657 | 0.69 | CCR1 (0.43) | MEN1KMT2AALDH1A1LMNAPKM | |
| SCHEMBL26921786 | 0.68 | CYP3A4 (0.56) | MEN1KMT2AAGTR1GRIN2AGRIN1 |
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-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |