Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27995207 | 0.83 | HTR2A (0.47) | HTR2AHTR2CCYP2A6CYP1A2TDP1 | |
| SCHEMBL171810 | 0.76 | CYP2A6 (0.55) | HTR2AHTR2CCYP2A6CYP1A2HTR7 | |
| SCHEMBL20614498 | 0.74 | HTR2A (0.47) | HTR2AHTR2CCYP2A6CYP1A2HTR7 | |
| SCHEMBL28027731 | 0.74 | HTR2A (0.47) | HTR2AHTR2CCYP2A6CYP1A2HTR7 | |
| SCHEMBL27987689 | 0.74 | HTR2A (0.47) | HTR2AHTR2CCYP2A6CYP1A2HTR7 | |
| SCHEMBL7501007 | 0.74 | HTR2A (0.51) | HTR2AHTR2CCYP2A6CYP1A2HTR7 | |
| SCHEMBL15241824 | 0.74 | HTR2A (0.51) | HTR2AHTR2CCYP2A6CYP1A2HTR7 | |
| SCHEMBL13204941 | 0.71 | HTR2C (0.53) | HTR2AHTR2CCYP2A6CYP1A2HTR7 | |
| SCHEMBL10193356 | 0.71 | HTR2C (0.62) | HTR2AHTR2CCYP2A6CYP1A2HTR7 | |
| SCHEMBL13183604 | 0.71 | HTR2A (0.45) | HTR2AHTR2CCYP2A6CYP1A2HTR7 |
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-102574857-B | Heterocyclic compounds as jak receptor and protein tyrosine kinase inhibitors | LEO PHARMA AS | 2015-06-10 | — | — | CN | claimed |
| CN-107428685-A | Indole derivatives as inhibitors of dengue virus replication | 杨森制药公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-102574857-B | Heterocyclic compounds as jak receptor and protein tyrosine kinase inhibitors | LEO PHARMA AS | 2015-06-10 | — | — | CN | disclosed |