Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TEAD1 | P28347 | 4/20 | 0.38 |
| ▸ | TEAD3 | Q99594 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | PHGDH | O43175 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25200465 | 1.00 | ALDH1A1 (0.43) | ALDH1A1NPC1LMNAMEN1KMT2A | |
| SCHEMBL21657795 | 0.93 | ALDH1A1 (0.42) | ALDH1A1NPC1LMNAMEN1KMT2A | |
| SCHEMBL463245 | 0.92 | ALDH1A1 (0.48) | ALDH1A1NPC1LMNAMEN1KMT2A | |
| SCHEMBL22461349 | 0.89 | ALDH1A1 (0.41) | ALDH1A1NPC1LMNAMEN1KMT2A | |
| SCHEMBL3487800 | 0.85 | ALDH1A1 (0.54) | ALDH1A1NPC1LMNAMEN1KMT2A | |
| SCHEMBL1687921 | 0.85 | ALDH1A1 (0.54) | ALDH1A1NPC1LMNAMEN1KMT2A | |
| SCHEMBL13498450 | 0.85 | ALDH1A1 (0.54) | ALDH1A1NPC1LMNAMEN1KMT2A | |
| SCHEMBL1687958 | 0.81 | ALDH1A1 (0.41) | ALDH1A1NPC1LMNAMEN1KMT2A | |
| SCHEMBL15080935 | 0.81 | ALDH1A1 (0.41) | ALDH1A1NPC1LMNAMEN1KMT2A | |
| SCHEMBL15726987 | 0.81 | ALDH1A1 (0.41) | ALDH1A1NPC1LMNAMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3689871-A1 | 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE | Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) | 2020-08-05 | — | — | EP | disclosed |