Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27808390 | 0.76 | NPC1 (0.45) | NPC1ALDH1A1RAB9ALMNAHTT | |
| SCHEMBL27574865 | 0.75 | GLA (0.53) | NPC1ALDH1A1RAB9ALMNAHTT | |
| SCHEMBL28294256 | 0.74 | CTSB (0.47) | LMNACA1CA2CA5ACA9 | |
| SCHEMBL24793086 | 0.74 | CA1 (0.45) | ALDH1A1CA1CA2CA5ACA9 | |
| SCHEMBL29799754 | 0.74 | CA1 (0.45) | ALDH1A1CA1CA2CA5ACA9 | |
| SCHEMBL28294170 | 0.73 | RXFP1 (0.53) | NPC1ALDH1A1RAB9ALMNAHTT | |
| SCHEMBL27718558 | 0.73 | TAAR1 (0.45) | NPC1ALDH1A1RAB9ALMNAHTT | |
| SCHEMBL27911532 | 0.73 | NPC1 (0.40) | NPC1ALDH1A1RAB9ALMNAHTT | |
| SCHEMBL2171913 | 0.72 | NPC1 (0.41) | NPC1ALDH1A1RAB9ALMNAHTT | |
| SCHEMBL27906124 | 0.72 | ALDH1A1 (0.46) | NPC1ALDH1A1RAB9ALMNAHTT |
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-109689661-A | Macrocyclic inhibitors of myeloperoxidase | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |