Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL21686018 | 1.00 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16852808 | 0.79 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23881352 | 0.76 | TBXAS1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9267870 | 0.75 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21686085 | 0.75 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10681112 | 0.74 | LMNA (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL25056335 | 0.74 | CA12 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1321124 | 0.73 | CA12 (0.75) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1321126 | 0.73 | CA12 (0.75) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7135266 | 0.73 | TTR (0.45) | CA12CA1CA2CA7CA9 |
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-108299269-B | Synthesis method of MC-1568 | 苏州卫生职业技术学院 | 2021-08-06 | — | — | CN | claimed |
| CN-108299269-B | Synthesis method of MC-1568 | 苏州卫生职业技术学院 | 2021-08-06 | — | — | CN | disclosed |