Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 7/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2046535 | 0.88 | ALDH1A1 (0.61) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| SCHEMBL28550334 | 0.87 | ALDH1A1 (0.46) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Hydrochloric Acid SCHEMBL7804777 | 0.86 | ALDH1A1 (0.59) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Chloromethane SCHEMBL8427834 | 0.86 | ALDH1A1 (0.59) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Acrylic Acid Methyl Ester SCHEMBL4065761 | 0.80 | ALDH1A1 (0.33) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| SCHEMBL8976328 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| SCHEMBL4387476 | 0.78 | TSHR (0.42) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| Acrylic Acid Ethyl Ester SCHEMBL28294928 | 0.77 | TSHR (0.47) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| SCHEMBL13179776 | 0.76 | ALDH1A1 (0.55) | ALDH1A1TP53HIF1ACYP3A4MAPK1 | |
| SCHEMBL2783974 | 0.76 | TSHR (0.47) | ALDH1A1TP53HIF1ACYP3A4MAPK1 |
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-2109441-A2 | POLYSILOXANE BLOCK COPOLYMERS | Ciba Holding Inc. (CH) | 2009-10-21 | — | — | EP | claimed |
| WO-2008095822-A2 | POLYSILOXANE BLOCK COPOLYMERS | CIBA HOLDING INC. (CH) | 2008-08-14 | — | — | WO | claimed |