Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL11548289 | 0.75 | — | — | |
| SCHEMBL11154023 | 0.73 | ALDH1A1 (0.35) | ALDH1A1TSHRTHRATHRB | |
| SCHEMBL7187535 | 0.73 | — | — | |
| SCHEMBL9015652 | 0.71 | ALDH1A1 (0.37) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL10683916 | 0.70 | — | — | |
| Acrylic Acid SCHEMBL6536516 | 0.70 | LMNA (0.46) | ALDH1A1TSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL243901 | 0.69 | TSHR (0.43) | ALDH1A1TSHRCYP2C19 | |
| SCHEMBL4817594 | 0.68 | TDP1 (0.33) | ALDH1A1 | |
| SCHEMBL10357753 | 0.68 | — | — | |
| SCHEMBL10357754 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030078354-A1 | Novel beta-oxo compounds and their use in photoresist | ARCH SPECIALTY CHEMICALS, INC. (US) | 2003-04-24 | — | — | US | disclosed |
| WO-2002068527-A2 | NOVEL β-OXO COMPOUNDS AND THEIR USE IN PHOTORESIST | ARCH SPECIALTY CHEMICALS, INC. (US) | 2002-09-06 | — | — | WO | disclosed |