Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 12/20 | 1.00 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | MAOB | P27338 | 2/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.56 |
| ▸ | RELA | Q04206 | 1/20 | 0.56 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL1186909 | 0.87 | SMPD1 (0.77) | SMPD1RAB9AALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL2254423 | 0.86 | SMPD1 (0.76) | SMPD1RAB9AALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL28600087 | 0.86 | SMPD1 (1.00) | SMPD1RAB9AALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL1608032 | 0.86 | SMPD1 (1.00) | SMPD1MAOBHDAC1HDAC8HDAC6 | |
| SCHEMBL1186257 | 0.85 | SMN1; SMN2 (0.76) | SMPD1RAB9ANPC1SMN1; SMN2MAOB | |
| SCHEMBL30418238 | 0.83 | SMPD1 (0.71) | SMPD1RAB9AALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL7438620 | 0.83 | SMPD1 (0.71) | SMPD1RAB9AALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL1012519 | 0.82 | NPC1 (0.70) | SMPD1RAB9AALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL8983027 | 0.80 | SMPD1 (0.67) | SMPD1RAB9AALDH1A1NPC1SMN1; SMN2 | |
| SCHEMBL15825021 | 0.80 | SIRT2 (0.68) | SMPD1RAB9AALDH1A1NPC1SMN1; SMN2 |
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-108250105-B | Acid sphingomyelinase inhibitor and application thereof in related diseases | 中国药科大学 | 2021-07-16 | — | — | CN | disclosed |