Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.43 |
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PTAFR | P25105 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11099181 | 0.74 | ALDH1A1 (0.52) | NPC1RAB9ASMN1; SMN2KMT2ACES1 | |
| SCHEMBL21940769 | 0.73 | CES1 (0.44) | NPC1RAB9APOLBPTAFRSMN1; SMN2 | |
| SCHEMBL10041964 | 0.71 | NPC1 (0.56) | NPC1RAB9APOLBPTAFRSMN1; SMN2 | |
| SCHEMBL23772366 | 0.65 | NPC1 (0.56) | NPC1RAB9APOLBPTAFRSMN1; SMN2 | |
| SCHEMBL27487935 | 0.64 | SMN1; SMN2 (0.48) | NPC1RAB9APOLBPTAFRSMN1; SMN2 | |
| SCHEMBL7950259 | 0.64 | MAOA (0.44) | NPC1RAB9APOLBPTAFRSMN1; SMN2 | |
| SCHEMBL19645160 | 0.63 | CES1 (0.46) | NPC1RAB9APTAFRSMN1; SMN2CES1 | |
| SCHEMBL4554299 | 0.63 | SMN1; SMN2 (0.67) | NPC1RAB9APOLBSMN1; SMN2KMT2A | |
| SCHEMBL7554989 | 0.63 | CES1 (0.50) | NPC1RAB9ASMN1; SMN2KMT2ACES1 | |
| SCHEMBL9714297 | 0.62 | RXRA (0.48) | NPC1RAB9APTAFRKMT2ACES1 |
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-111018918-A | Metal complex, intermediate, preparation method and application thereof | 中国科学院上海有机化学研究所 | 2020-04-17 | — | — | CN | disclosed |