Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6363105 | 0.78 | ALDH1A1 (0.50) | NPC1RAB9AL3MBTL1ALDH1A1MEN1 | |
| SCHEMBL18992722 | 0.74 | NPC1 (0.69) | NPC1RAB9AL3MBTL1ALDH1A1PGR | |
| SCHEMBL3190249 | 0.71 | NPC1 (0.45) | NPC1RAB9AL3MBTL1ALDH1A1PGR | |
| SCHEMBL28015555 | 0.70 | ALDH1A1 (0.44) | NPC1RAB9AALDH1A1PGRMEN1 | |
| SCHEMBL16049433 | 0.70 | HSPB1 (0.46) | NPC1RAB9AALDH1A1PGRMEN1 | |
| SCHEMBL6234527 | 0.68 | NPC1 (0.47) | NPC1RAB9AALDH1A1PGRMEN1 | |
| SCHEMBL3250886 | 0.68 | ALDH1A1 (0.39) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL15071010 | 0.67 | RAB9A (0.59) | NPC1RAB9AL3MBTL1ALDH1A1PGR | |
| SCHEMBL27892542 | 0.66 | HSP90AA1 (0.55) | ALDH1A1LMNATDP1CHRNB4CHRNA3 | |
| SCHEMBL232696 | 0.65 | TDP1 (0.61) | ALDH1A1MEN1KMT2ALMNAHTT |
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-105612172-A | Cyclic polypeptides for the treatment of heart failure | NOVARTIS AG | 2016-05-25 | — | — | CN | disclosed |