Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.51 |
| ▸ | ACLY | P53396 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28400051 | 0.85 | ALDH1A1 (0.76) | ALDH1A1NTRK1L3MBTL1MTNR1AMTNR1B | |
| SCHEMBL17680501 | 0.80 | L3MBTL1 (0.71) | ALDH1A1NTRK1ACLYL3MBTL1KMT2A | |
| SCHEMBL8762468 | 0.77 | CCR2 (0.55) | NTRK1ACLYPTGS2 | |
| SCHEMBL28401787 | 0.75 | ALDH1A1 (0.67) | ALDH1A1NTRK1L3MBTL1MTNR1AMTNR1B | |
| SCHEMBL28392319 | 0.75 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1MTNR1AMTNR1BHTR1A | |
| SCHEMBL28398391 | 0.75 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MTNR1AMTNR1BKMT2A | |
| SCHEMBL6822028 | 0.74 | PTGS2 (0.58) | ALDH1A1NTRK1ACLYL3MBTL1PTGS2 | |
| SCHEMBL8762327 | 0.73 | F10 (0.62) | NTRK1PTGS2 | |
| SCHEMBL11691275 | 0.73 | ALDH1A1 (1.00) | ALDH1A1NTRK1L3MBTL1MTNR1AMTNR1B | |
| SCHEMBL8761380 | 0.71 | NTRK1 (0.55) | NTRK1 |
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-111004164-B | Preparation method of polysubstituted 2-aryl indole derivative | 浙江工业大学 | 2021-01-05 | — | — | CN | disclosed |
| CN-111004164-A | Preparation method of polysubstituted 2-aryl indole derivative | 浙江工业大学 | 2020-04-14 | — | — | CN | disclosed |