Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17466180 | 1.00 | HTT (0.65) | HTTALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL17626174 | 0.90 | TAAR1 (0.66) | HTTALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL628621 | 0.84 | ALDH1A1 (0.61) | HTTALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL6864880 | 0.82 | ALDH1A1 (0.63) | HTTALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL19439524 | 0.81 | HTT (0.66) | HTTALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL14853301 | 0.80 | ALDH1A1 (0.61) | HTTALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL27716289 | 0.80 | ALDH1A1 (0.67) | HTTALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL12251076 | 0.80 | ALDH1A1 (0.61) | HTTALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL1800895 | 0.79 | POLB (0.61) | HTTALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL9886 | 0.79 | ALDH1A1 (0.85) | HTTALDH1A1MAPTMEN1KMT2A |
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-101284828-B | Cycloheptapyridine compounds, preparation method thereof, use and pharmaceutical compositions containing the compounds | SHANGHAI INST MATERIA MEDICA | 2011-04-27 | — | — | CN | disclosed |
| CN-101284828-A | Cycloheptapyridine compounds, preparation method thereof, use and pharmaceutical compositions containing the compounds | SHANGHAI INST MATERIA MEDICA (CN) | 2008-10-15 | — | — | CN | disclosed |
| CN-101245062-A | Tetrahydroquinoline compound, preparation method and pharmaceutical composition | SHANGHAI INST OF MEDICINE CHIN (CN) | 2008-08-20 | — | — | CN | disclosed |