Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2920821 | 0.78 | GRM1 (0.34) | ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL2491253 | 0.76 | — | — | |
| SCHEMBL9152848 | 0.73 | MCL1 (0.35) | ALDH1A1HPGDLMNA | |
| SCHEMBL9229236 | 0.72 | ALDH1A1 (0.36) | ALDH1A1HPGDLMNA | |
| SCHEMBL28043504 | 0.69 | KDM4E (0.42) | ALDH1A1HPGDLMNAKMT2A | |
| SCHEMBL6825281 | 0.65 | ALDH1A1 (0.33) | ALDH1A1HPGDLMNAGAAPKM | |
| SCHEMBL260683 | 0.64 | ALDH1A1 (0.50) | ALDH1A1HPGDLMNAMEN1KMT2A | |
| SCHEMBL10620118 | 0.61 | ALDH1A1 (0.41) | ALDH1A1HPGDLMNAPKM | |
| SCHEMBL12431222 | 0.61 | CES2 (0.60) | ALDH1A1HPGDGAAPKMMEN1 | |
| Acetic Acid SCHEMBL28183448 | 0.60 | ROCK2 (0.35) | ALDH1A1LMNAGAAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109232575-A | Pyrroles's [1,2-b] pyridazine compound or its officinal salt and their purposes | 中国科学院上海药物研究所 | 2019-01-18 | — | — | CN | disclosed |