Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | EDNRA | P25101 | 1/20 | 0.40 |
| ▸ | MAT2A | P31153 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 4/20 | 0.38 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22760177 | 0.93 | AKR1C3 (0.44) | HPGDCYP2C19KDM4ECYP1A2CYP3A4 | |
| SCHEMBL22748334 | 0.91 | KMO (0.40) | HPGDCYP2C19KDM4ECYP1A2CYP3A4 | |
| SCHEMBL22748355 | 0.90 | EDNRA (0.40) | HPGDCYP2C19KDM4ECYP1A2CYP3A4 | |
| SCHEMBL22760131 | 0.89 | KMO (0.39) | HPGDCYP2C19KDM4ECYP1A2CYP3A4 | |
| SCHEMBL22747853 | 0.89 | MAPT (0.42) | HPGDCYP2C19KDM4ECYP1A2CYP3A4 | |
| SCHEMBL22747835 | 0.89 | KMO (0.40) | HPGDCYP2C19KDM4ECYP1A2CYP3A4 | |
| SCHEMBL22747830 | 0.89 | EDNRA (0.39) | HPGDCYP2C19KDM4ECYP1A2CYP3A4 | |
| SCHEMBL22760063 | 0.89 | EDNRA (0.39) | HPGDCYP2C19KDM4ECYP1A2CYP3A4 | |
| SCHEMBL22760151 | 0.89 | MAPK8 (0.49) | KDM4ETSHRMAPTHTTPOLB | |
| SCHEMBL22760076 | 0.87 | EDNRA (0.38) | HPGDEDNRAHTTLMNAAKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |
| WO-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |
| CN-112028815-A | Indole derivatives and medical application thereof | 中国药科大学 | 2020-12-04 | — | — | CN | disclosed |