Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.58 |
| ▸ | POLB | P06746 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 7/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL10133307 | 0.83 | NPC1 (0.61) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL28152084 | 0.82 | NPC1 (0.59) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL27840250 | 0.80 | KMT2A (0.47) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL27626989 | 0.75 | ALDH1A1 (0.48) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL3147770 | 0.75 | NPC1 (0.63) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL28701986 | 0.74 | PLAU (0.50) | — | |
| SCHEMBL7262444 | 0.74 | NPC1 (0.62) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL31084267 | 0.74 | NPC1 (0.67) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL7774453 | 0.74 | NPC1 (0.67) | NPC1POLBMAPTMEN1KMT2A | |
| SCHEMBL3155590 | 0.74 | NPC1 (0.62) | NPC1POLBMAPTMEN1KMT2A |
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-106146487-B | Pyridylmethyl dithiocarbonic acid hetero-aromatic ring alkyl esters compound and its preparation method and application | 北京大学 | 2019-05-10 | — | — | CN | disclosed |
| CN-106146487-A | Pyridylmethyl dithiocarbonic acid hetero-aromatic ring alkyl esters compound and its production and use | 北京大学 | 2016-11-23 | — | — | CN | disclosed |