Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | HTT | P42858 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2155051 | 0.81 | SMN1; SMN2 (0.44) | KDM4EHTTLMNACYP2A6TSHR | |
| SCHEMBL2215084 | 0.78 | NPC1 (0.52) | KDM4ELMNAADORA3TSHRCYP3A4 | |
| SCHEMBL14358640 | 0.74 | CYP11B1 (0.43) | KDM4EHTTLMNACYP2A6TSHR | |
| SCHEMBL16183770 | 0.74 | S1PR1 (0.45) | KDM4ELMNATSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL14474797 | 0.72 | MAPT (0.52) | KDM4EHTTLMNAADORA3CYP3A4 | |
| SCHEMBL14727925 | 0.72 | KMT2A (0.51) | KDM4EHTTLMNATSHRCYP3A4 | |
| SCHEMBL12339131 | 0.72 | CYP2A6 (0.54) | KDM4EHTTLMNACYP2A6TSHR | |
| SCHEMBL31620698 | 0.71 | KDM4E (1.00) | KDM4EHTTLMNATSHRSMN1; SMN2 | |
| SCHEMBL2155114 | 0.71 | CHRNB2 (0.43) | KDM4EHTTLMNACYP2A6TSHR | |
| SCHEMBL9133519 | 0.71 | TDO2 (0.50) | KDM4EHTTLMNATSHRCYP3A4 |
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-105218516-A | Therapeutic compounds and related methods of use | OTSUKA PHARMA CO LTD | 2016-01-06 | — | — | CN | disclosed |
| CN-102883723-B | Therapeutic compounds and related methods of use | OTSUKA PHARMACEUTICAL CO.,LTD. (JP) | 2015-09-16 | — | — | CN | disclosed |