Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.32 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14101198 | 0.81 | ESR1 (0.46) | TSHRACHECYP3A4TDP1ESR1 | |
| SCHEMBL4918290 | 0.81 | ESR1 (0.46) | TSHRACHECYP3A4TDP1ESR1 | |
| SCHEMBL3785328 | 0.79 | ESR1 (0.45) | TSHRACHECYP3A4TDP1ESR1 | |
| SCHEMBL49618 | 0.78 | CYP3A4 (0.52) | TSHRACHECYP3A4TDP1ESR1 | |
| SCHEMBL29535212 | 0.78 | CYP3A4 (0.52) | TSHRACHECYP3A4TDP1ESR1 | |
| SCHEMBL49858 | 0.78 | CYP3A4 (0.52) | TSHRACHECYP3A4TDP1ESR1 | |
| SCHEMBL2505471 | 0.77 | CYP3A4 (0.40) | TSHRACHECYP3A4TDP1ESR1 | |
| SCHEMBL31531976 | 0.76 | CYP3A4 (0.50) | TSHRACHECYP3A4TDP1ESR1 | |
| Iodide SCHEMBL30903480 | 0.76 | CYP3A4 (0.50) | TSHRACHECYP3A4TDP1ESR1 | |
| SCHEMBL31532278 | 0.76 | CYP3A4 (0.50) | TSHRACHECYP3A4TDP1ESR1 |
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-0968158-A1 | METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM | Basell Polyolefine GmbH (DE) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998040331-A1 | PREPARATION OF PREPARING SUBSTITUTED INDANONES | TARGOR GMBH (DE) | 1998-09-17 | — | — | WO | disclosed |