Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27891901 | 0.83 | MAPT (0.48) | MAPTKDM4ECYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL24996963 | 0.76 | ALDH1A1 (0.33) | MAPTKDM4EHTTALDH1A1HPGD | |
| SCHEMBL22166661 | 0.75 | CYP1A1 (0.41) | MAPTCYP1A1CYP1B1ALDH1A1CYP1A2 | |
| SCHEMBL25764360 | 0.75 | MAPT (0.40) | POLBMAPTKDM4EHTTLMNA | |
| SCHEMBL24113246 | 0.75 | CTSL (0.38) | POLBMAPTHTTLMNASMN1; SMN2 | |
| SCHEMBL24113456 | 0.75 | MAPT (0.38) | MAPTKDM4ELMNAL3MBTL1ALDH1A1 | |
| SCHEMBL19343270 | 0.75 | SCD (0.38) | MAPTKDM4ELMNAL3MBTL1ALDH1A1 | |
| SCHEMBL25721504 | 0.74 | LMNA (0.45) | POLBMAPTKDM4EHTTLMNA | |
| SCHEMBL23709765 | 0.74 | MRGPRX4 (0.42) | MAPTKDM4EALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL14337628 | 0.74 | MAPT (0.48) | POLBMAPTKDM4ELMNAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102952062-B | Replace benzo-heterocycle compound and its preparation method and application | 中国医学科学院医药生物技术研究所 | 2016-06-08 | — | — | CN | disclosed |
| CN-102952062-A | Substituted benzoheterocyclic compounds and preparation method and application thereof | INST MEDICINAL BIOTECHNOLOGY | 2013-03-06 | — | — | CN | disclosed |