Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ABL1 | P00519 | 2/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.47 |
| ▸ | BCR | P11274 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | TTR | P02766 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1794250 | 0.98 | CYP3A4 (0.50) | ALDH1A1CYP3A4ABL1ABCB1BCR | |
| SCHEMBL233829 | 0.85 | ALDH1A1 (0.69) | ALDH1A1CYP3A4ABL1ABCB1BCR | |
| SCHEMBL116606 | 0.85 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP1A1CYP1B1SMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL10988442 | 0.83 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CYP1A1CYP1B1SMN1; SMN2 | |
| SCHEMBL21611343 | 0.83 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CYP1A1CYP1B1SMN1; SMN2 | |
| SCHEMBL30365875 | 0.83 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CYP1A1CYP1B1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3275940 | 0.83 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CYP1A1CYP1B1SMN1; SMN2 | |
| Flamenol SCHEMBL69428 | 0.80 | CYP3A4 (0.62) | ALDH1A1CYP3A4ABL1ABCB1BCR | |
| SCHEMBL5800828 | 0.80 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP1A1CYP1B1SMN1; SMN2 | |
| SCHEMBL6425437 | 0.78 | F2 (0.45) | ALDH1A1CYP3A4SMN1; SMN2HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1345914-A1 | THERAPEUTIC COMPOUNDS | AstraZeneca AB (SE) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002051821-A1 | THERAPEUTIC COMPOUNDS | ASTRAZENECA AB (SE) | 2002-07-04 | — | — | WO | disclosed |