Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | PAM | P19021 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28204506 | 0.85 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL1222681 | 0.83 | KMT2A (0.49) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL21590286 | 0.81 | NPC1 (0.48) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL28781903 | 0.81 | ALDH1A1 (0.59) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL27620056 | 0.78 | CYP2D6 (0.47) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL28756463 | 0.77 | TSHR (0.44) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL27586366 | 0.77 | KMT2A (0.49) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL27616224 | 0.76 | KMT2A (0.46) | ALDH1A1MAPK1L3MBTL1PAMTSHR | |
| SCHEMBL28506010 | 0.75 | F2 (0.45) | ALDH1A1MAPK1TSHRKMT2AHPGD | |
| SCHEMBL8608392 | 0.74 | KMT2A (0.54) | ALDH1A1L3MBTL1KMT2ASMN1; SMN2GAA |
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-100349895-C | Pyrrolopyridazine derivatives | ASTELLAS PHARMA INC (JP) | 2007-11-21 | — | — | CN | disclosed |
| CN-1759117-A | Pyrrolopyridazine derivatives | ASTELLAS PHARMA INC (JP) | 2006-04-12 | — | — | CN | disclosed |