Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | FABP4 | P15090 | 2/20 | 0.39 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.38 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL4071478 | 0.78 | HTR2A (0.51) | HTR2AHTR2CCYP1A2CYP2A6FABP4 | |
| SCHEMBL256208 | 0.76 | ALDH1A1 (0.50) | HTR2AHTR2CCYP1A2CYP2A6FABP4 | |
| SCHEMBL10441151 | 0.74 | HTR2A (0.47) | HTR2AHTR2CCYP1A2CYP2A6FABP4 | |
| SCHEMBL19089435 | 0.74 | HTR2A (0.47) | HTR2AHTR2CCYP1A2CYP2A6FABP4 | |
| SCHEMBL6817359 | 0.71 | SLC6A2 (0.43) | CYP1A2FABP4ALKBH5FTOALDH1A1 | |
| SCHEMBL13209712 | 0.71 | HTR2A (0.45) | HTR2AHTR2CCYP1A2CYP2A6FABP4 | |
| SCHEMBL13090965 | 0.71 | HTR2C (0.53) | HTR2AHTR2CCYP1A2CYP2A6FABP4 | |
| SCHEMBL2120779 | 0.71 | HTR2C (0.62) | HTR2AHTR2CCYP1A2CYP2A6FABP4 | |
| SCHEMBL19910604 | 0.70 | HTR6 (0.65) | HTR2AHTR2CCYP1A2P2RX7NOTUM | |
| SCHEMBL25436534 | 0.69 | HTR2A (0.44) | HTR2AHTR2CCYP1A2CYP2A6FABP4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104854087-A | As P2X7Indole carboxamide derivatives of receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-08-19 | — | — | CN | claimed |
| CN-104812749-A | Iindole carboxamide derivatives as p2x7 receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-07-29 | — | — | CN | claimed |
| CN-109689645-A | Cyanoindole quinoline derivant as NIK inhibitor | 杨森制药有限公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-104854087-A | As P2X7Indole carboxamide derivatives of receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-08-19 | — | — | CN | disclosed |
| CN-104812749-A | Iindole carboxamide derivatives as p2x7 receptor antagonists | ACTELION PHARMACEUTICALS LTD | 2015-07-29 | — | — | CN | disclosed |