Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 7/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CCR6 | P51684 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL13743330 | 0.76 | HSD17B10 (0.45) | HSD17B10TSHRSMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL30313522 | 0.66 | TSHR (0.58) | HSD17B10TSHRSMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL772362 | 0.66 | TSHR (0.58) | HSD17B10TSHRSMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL8053279 | 0.66 | TSHR (0.58) | HSD17B10TSHRSMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL15591482 | 0.65 | MAPT (0.44) | HSD17B10TSHRSMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL5311206 | 0.64 | TSHR (0.56) | HSD17B10TSHRSMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL3633645 | 0.62 | TSHR (0.52) | HSD17B10TSHRTDP1ALDH1A1CYP3A4 | |
| SCHEMBL3175084 | 0.62 | TSHR (0.48) | HSD17B10TSHRSMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL31592017 | 0.62 | TSHR (0.52) | HSD17B10TSHRTDP1ALDH1A1CYP3A4 | |
| SCHEMBL29804082 | 0.62 | TSHR (0.48) | HSD17B10TSHRSMN1; SMN2TDP1ALDH1A1 |
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-110218211-A | A kind of simple and convenient process for preparing of nevirapine | 新发药业有限公司 | 2019-09-10 | — | — | CN | disclosed |
| CN-110015988-A | A kind of simple and convenient process for preparing of low cost 3- amino-4-methylpyridine | 新发药业有限公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-105473550-B | IDO inhibitors | 百时美施贵宝公司 | 2019-02-15 | — | — | CN | disclosed |