Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFD | P00746 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11233545 | 0.68 | CHRM2 (0.30) | — | |
| SCHEMBL754514 | 0.68 | — | — | |
| SCHEMBL3453107 | 0.66 | LMNA (0.50) | CFDALDH1A1POLBKDM4ETDP1 | |
| SCHEMBL14710190 | 0.66 | LMNA (0.46) | CFDALDH1A1POLBKDM4ETDP1 | |
| SCHEMBL28032307 | 0.65 | KDM4E (0.38) | CFDTSHRALDH1A1POLBKDM4E | |
| SCHEMBL27487969 | 0.65 | KMT2A (0.44) | CFDTSHRALDH1A1NPC1POLB | |
| SCHEMBL1529732 | 0.64 | CHRNB2 (0.44) | TSHRALDH1A1POLBHTTKDM4E | |
| SCHEMBL31756330 | 0.64 | CA12 (0.33) | CA12CA9 | |
| SCHEMBL5534885 | 0.64 | LMNA (0.45) | CFDALDH1A1POLBKDM4ETDP1 | |
| SCHEMBL4647729 | 0.64 | HSD17B10 (0.50) | CFDTSHRHTTKDM4ETDP1 |
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-105503832-A | Substituted pyrazol ring derivative and application thereof | UNIV ZHEJIANG | 2016-04-20 | — | — | CN | disclosed |
| CN-104926801-A | Substituted nitrogen heterocyclic derivative, pharmaceutical composition containing the same and application thereof in tumor resistance | UNIV ZHEJIANG | 2015-09-23 | — | — | CN | disclosed |
| US-20040214232-A1 | Generation of skeletal diversity within a combinatorial library | HOWARD HUGHES MEDICAL INSTITUTE | 2004-10-28 | — | — | US | disclosed |