Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | S100B | P04271 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CD44 | P16070 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL404991 | 0.81 | TDP1 (0.36) | TDP1CYP3A4ALDH1A1TSHRCASP1 | |
| SCHEMBL12920752 | 0.79 | ACHE (0.33) | — | |
| SCHEMBL1425839 | 0.77 | CYP3A4 (0.40) | TDP1CYP3A4ALDH1A1TSHRCASP1 | |
| SCHEMBL6399331 | 0.75 | CYP3A4 (0.39) | TDP1CYP3A4ALDH1A1TSHRCASP1 | |
| SCHEMBL14964653 | 0.75 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL7936128 | 0.75 | ACHE (0.36) | — | |
| SCHEMBL16970797 | 0.75 | CYP3A4 (0.43) | TDP1CYP3A4ALDH1A1TSHRCASP1 | |
| SCHEMBL30216043 | 0.75 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL20571899 | 0.75 | CD44 (0.44) | TDP1CYP3A4ALDH1A1TSHRCASP1 | |
| SCHEMBL5812365 | 0.75 | POLB (0.44) | TDP1CYP3A4ALDH1A1TSHRCASP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009132774-A1 | NEW SUBSTITUTED INDOLIN-2-ONE DERIVATIVES AND THEIR USE AS P39 MITOGEN-ACTIVATED KINASE INHIBITORS | ALMIRALL, S. A. (ES) | 2009-11-05 | — | — | WO | disclosed |
| EP-2113503-A1 | New substituted indolin-2-one derivatives and their use as p39 mitogen-activated kinase inhibitors | Laboratorios Almirall, S.A. (ES) | 2009-11-04 | — | — | EP | disclosed |