Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23147143 | 0.85 | ALDH1A1 (0.37) | ALDH1A1NOTUMCYP1A2CYP3A4NPSR1 | |
| SCHEMBL71362 | 0.82 | NOTUM (0.48) | ALDH1A1NOTUMCYP1A2CYP3A4NPSR1 | |
| SCHEMBL6468905 | 0.76 | NPSR1 (0.52) | ALDH1A1CYP1A2CYP3A4NPSR1TSHR | |
| SCHEMBL11584471 | 0.75 | ALDH1A1 (0.52) | ALDH1A1NOTUMCYP1A2CYP3A4NPSR1 | |
| SCHEMBL11802081 | 0.75 | NOTUM (0.43) | ALDH1A1NOTUMCYP1A2CYP3A4NPSR1 | |
| SCHEMBL11223557 | 0.74 | NOTUM (0.41) | ALDH1A1NOTUMCYP1A2CYP3A4SMN1; SMN2 | |
| SCHEMBL7424028 | 0.73 | CYP1A2 (0.52) | ALDH1A1NOTUMCYP1A2CYP3A4NPSR1 | |
| SCHEMBL13154639 | 0.70 | NOTUM (0.38) | ALDH1A1NOTUMCYP1A2CYP3A4SMN1; SMN2 | |
| SCHEMBL5035539 | 0.70 | GPR35 (0.46) | ALDH1A1CYP1A2CYP3A4NPSR1TSHR | |
| SCHEMBL29950777 | 0.70 | SMN1; SMN2 (0.58) | ALDH1A1NOTUMCYP1A2CYP3A4NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |
| EP-1466902-A1 | ANDROGEN RECEPTOR ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2004-10-13 | — | — | EP | disclosed |
| WO-1999001423-A1 | GLUCAGON ANTAGONISTS/INVERSE AGONISTS | NOVO NORDISK A/S (DK) | 1999-01-14 | — | — | WO | disclosed |