Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | POLB | P06746 | 3/20 | 0.59 |
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | MAOA | P21397 | 3/20 | 0.59 |
| ▸ | MAOB | P27338 | 3/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA3 | P07451 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL22132852 | 0.89 | MEN1 (0.60) | ALDH1A1RAB9APOLBNPC1KDM4E | |
| SCHEMBL22132752 | 0.88 | LMNA (0.62) | ALDH1A1RAB9APOLBNPC1KDM4E | |
| SCHEMBL22132755 | 0.88 | KMT2A (0.63) | ALDH1A1POLBCA12CA1CA2 | |
| SCHEMBL982766 | 0.85 | CA12 (0.68) | ALDH1A1POLBKDM4EMAOACA12 | |
| SCHEMBL2034208 | 0.85 | CA12 (0.76) | ALDH1A1RAB9APOLBNPC1KDM4E | |
| SCHEMBL22129769 | 0.78 | CNR2 (0.49) | ALDH1A1POLBKDM4EMAOACA12 | |
| SCHEMBL1406760 | 0.78 | MAOB (0.62) | ALDH1A1POLBKDM4EMAOAMAOB | |
| SCHEMBL22129780 | 0.76 | MAOA (0.72) | ALDH1A1RAB9APOLBNPC1KDM4E | |
| SCHEMBL15398224 | 0.76 | ALDH1A1 (0.76) | ALDH1A1RAB9APOLBNPC1KDM4E | |
| SCHEMBL1654270 | 0.75 | CA12 (0.61) | ALDH1A1POLBKDM4EMAOACA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020130120-A1 | CANCER METASTASIS INHIBITOR | 学校法人京都薬科大学 | 2020-06-25 | — | — | WO | claimed |
| WO-2020130120-A1 | CANCER METASTASIS INHIBITOR | 学校法人京都薬科大学 | 2020-06-25 | — | — | WO | disclosed |
| WO-2020130120-A1 | CANCER METASTASIS INHIBITOR | 学校法人京都薬科大学 | 2020-06-25 | — | — | WO | disclosed |