Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | NNMT | P40261 | 3/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL27576919 | 0.87 | KDM1A (0.41) | KDM1ASIRT2TSHRHSD17B3NNMT | |
| Hydrochloric Acid SCHEMBL27985832 | 0.85 | KDM1A (0.40) | KDM1ASIRT2TSHRHSD17B3NNMT | |
| SCHEMBL27918521 | 0.85 | ALDH1A1 (0.49) | KDM1ATSHRCYP2C19KDM4EALDH1A1 | |
| SCHEMBL27774598 | 0.83 | PRSS1 (0.38) | — | |
| SCHEMBL16038861 | 0.75 | NPC1 (0.47) | KDM1AHDAC1HDAC8HDAC6HDAC2 | |
| SCHEMBL29769963 | 0.73 | CASP1 (0.37) | KDM4EALDH1A1HSD17B10SMN1; SMN2 | |
| SCHEMBL9573469 | 0.73 | DRD2 (0.37) | HSD17B10 | |
| SCHEMBL7341198 | 0.72 | KDM1A (0.40) | KDM1ATSHRHSD17B3NNMTLCK | |
| SCHEMBL27914874 | 0.71 | ALDH1A1 (0.49) | KDM1ATSHRCYP2C19KDM4EALDH1A1 | |
| SCHEMBL27556733 | 0.71 | KDM1A (0.39) | KDM1ATSHRHSD17B3NNMTLCK |
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-105814040-A | Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 | 癌症研究科技有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-101679273-A | 1-substituted tetrahydroisoquinoline compound | ASTELLAS PHARMA INC | 2010-03-24 | — | — | CN | disclosed |