Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | RAF1 | P04049 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| SCHEMBL3987101 | 0.86 | CTSB (0.46) | CTSBCTSSCTSKAAK1AURKB | |
| SCHEMBL245327 | 0.85 | CTSB (0.45) | CTSBCTSSCTSKAAK1AURKB | |
| SCHEMBL29134875 | 0.83 | NPC1 (0.46) | CTSBCTSSCTSKAAK1LMNA | |
| SCHEMBL246563 | 0.83 | CTSB (0.43) | CTSBCTSSCTSKAAK1AURKB | |
| SCHEMBL13262888 | 0.83 | AAK1 (0.46) | CTSBCTSSCTSKAAK1AURKB | |
| SCHEMBL2754681 | 0.79 | CTSB (0.52) | CTSBCTSSCTSKAAK1AURKB | |
| SCHEMBL14362047 | 0.78 | CACNA1B (0.62) | CA1CA2CACNA1BCA9 | |
| SCHEMBL29820228 | 0.78 | CTSB (0.56) | CTSBCTSSCTSKMTORLMNA | |
| SCHEMBL507151 | 0.78 | CTSB (0.56) | CTSBCTSSCTSKMTORLMNA | |
| SCHEMBL31306447 | 0.78 | MTOR (0.43) | MTORLMNACA1CA2CA5A |
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-109689661-B | Macrocyclic inhibitors of myeloperoxidase | 百时美施贵宝公司 | 2021-10-15 | — | — | CN | disclosed |
| CN-109689661-A | Macrocyclic inhibitors of myeloperoxidase | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |