Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | DRD2 | P14416 | 1/20 | 0.62 |
| ▸ | DRD3 | P35462 | 1/20 | 0.62 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.59 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.59 |
| ▸ | HTR3B | O95264 | 3/20 | 0.59 |
| ▸ | HTR3A | P46098 | 3/20 | 0.59 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.59 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.59 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.59 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.53 |
| ▸ | NCF1 | P14598 | 1/20 | 0.53 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.53 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.53 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.53 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.52 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL231077 | 1.00 | KDM4E (0.63) | KDM4ETP53DRD2DRD3ADRB1 | |
| Hydrochloric Acid SCHEMBL23303443 | 0.98 | KDM4E (0.61) | KDM4ETP53DRD2DRD3ADRB1 | |
| Hydrochloric Acid SCHEMBL376202 | 0.98 | KDM4E (0.61) | KDM4ETP53DRD2DRD3ADRB1 | |
| SCHEMBL24989037 | 0.94 | KDM4E (0.58) | KDM4ETP53DRD2DRD3ADRB1 | |
| SCHEMBL4228201 | 0.93 | KDM4E (0.56) | KDM4ETP53DRD2DRD3ADRB1 | |
| SCHEMBL2384959 | 0.87 | KDM4E (0.80) | KDM4ETP53DRD2DRD3CHRNA10 | |
| SCHEMBL6718397 | 0.85 | DRD2 (0.53) | KDM4ETP53DRD2DRD3ADRB1 | |
| Formic Acid Methyl Ester SCHEMBL28330267 | 0.85 | ADRB1 (0.53) | KDM4ETP53DRD2DRD3ADRB1 | |
| SCHEMBL5570604 | 0.84 | ADRB1 (0.77) | KDM4EADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL154178 | 0.83 | KDM4E (0.68) | KDM4ETP53CHRNA10CHRNA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1309567-A2 | NITROGENOUS HETEROCYCLIC COMPOUNDS | Millennium Pharmaceuticals, Inc. (US) | 2003-05-14 | — | — | EP | disclosed |
| WO-2002016360-A2 | NITROGENOUS HETEROCYCLIC COMPOUNDS | COR THERAPEUTICS, INC. (US) | 2002-02-28 | — | — | WO | disclosed |