Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | MMP1 | P03956 | 1/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.53 |
| ▸ | CTSG | P08311 | 2/20 | 0.53 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.53 |
| ▸ | CMA1 | P23946 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | ELANE | P08246 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28891518 | 0.98 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9AHPGDGAA | |
| SCHEMBL8957448 | 0.90 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9AHPGDGAA | |
| SCHEMBL8957429 | 0.85 | NPC1 (0.62) | SMN1; SMN2NPC1RAB9AHTTPOLB | |
| SCHEMBL5655365 | 0.83 | PRSS1 (0.68) | SMN1; SMN2NPC1RAB9AHPGDGAA | |
| SCHEMBL9131435 | 0.83 | CYP19A1 (0.47) | NPC1RAB9AHPGDGAAPRSS1 | |
| SCHEMBL3961994 | 0.81 | GAA (0.59) | SMN1; SMN2NPC1RAB9AHPGDGAA | |
| SCHEMBL12568577 | 0.81 | CYP19A1 (0.46) | HPGDMMP1PRSS1ELANEHTT | |
| SCHEMBL30539770 | 0.81 | GAA (0.59) | SMN1; SMN2NPC1RAB9AHPGDGAA | |
| SCHEMBL27589820 | 0.80 | PRSS1 (0.59) | SMN1; SMN2NPC1RAB9AHPGDGAA | |
| SCHEMBL10071376 | 0.80 | MTNR1A (0.54) | GAAELANEHTTPOLBALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109342633-A | The detection method of benzene, toluene and diformazan benzene metabolite in urine | 北京市化工职业病防治院 | 2019-02-15 | — | — | CN | disclosed |
| CN-1649847-A | Method for producing optically active sulfoxide derivative | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2005-08-03 | — | — | CN | disclosed |
| CN-1182068-A | Process for separation of mixture of enantiomers | DSM NV (NL) | 1998-05-20 | — | — | CN | disclosed |