Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | HTR7 | P34969 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27807485 | 0.90 | TRPV1 (0.48) | HTR1AHTR2AHTR7TP53PDPK1 | |
| SCHEMBL27807477 | 0.90 | DRD4 (0.41) | PDPK1MTNR1ADRD4KDM4EALDH1A1 | |
| SCHEMBL3699011 | 0.89 | ALDH1A1 (0.45) | MTNR1ADRD4KDM4EALDH1A1HPGD | |
| SCHEMBL3711712 | 0.89 | HTR1A (0.44) | HTR1AHTR2AHTR7TP53DRD4 | |
| Hydrochloric Acid SCHEMBL3706766 | 0.89 | ALDH1A1 (0.44) | TP53MTNR1ADRD4KDM4EALDH1A1 | |
| SCHEMBL28790687 | 0.88 | TP53 (0.37) | TP53GAALMNABRAFESR1 | |
| SCHEMBL3699567 | 0.88 | PTGER3 (0.47) | HTR1AHTR2AHTR7PDPK1KDM4E | |
| SCHEMBL3705879 | 0.88 | RAB9A (0.46) | HTR1AHTR2AHTR7PDPK1MTNR1A | |
| SCHEMBL3704922 | 0.88 | HTR1A (0.42) | HTR1AHTR2AHTR7PDPK1MTNR1A | |
| SCHEMBL28787359 | 0.88 | HTR1A (0.42) | HTR1AHTR2AHTR7GAAKDM4E |
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-102066372-A | 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors | ASCEPION PHARMACEUTICALS INC | 2011-05-18 | — | — | CN | claimed |
| CN-102066372-B | 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors | ASCEPION PHARMACEUTICALS INC | 2014-09-17 | — | — | CN | disclosed |
| CN-102066372-A | 5, 6-membered heteroaryl bicyclic compounds containing a urea group as kinase inhibitors | ASCEPION PHARMACEUTICALS INC | 2011-05-18 | — | — | CN | disclosed |