Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | TLR4 | O00206 | 2/20 | 0.45 |
| ▸ | TLR2 | O60603 | 2/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12852056 | 1.00 | ALDH1A1 (0.49) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL14397530 | 0.92 | ALDH1A1 (0.45) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL20194411 | 0.90 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL5817830 | 0.90 | GRM2 (0.44) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL5749654 | 0.89 | DRD2 (0.48) | — | |
| SCHEMBL12855128 | 0.88 | ALDH1A1 (0.39) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL24936395 | 0.87 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4TSHRSMN1; SMN2 | |
| SCHEMBL5819818 | 0.79 | KDM4E (0.40) | — | |
| SCHEMBL14817248 | 0.79 | PARP15 (0.43) | — | |
| SCHEMBL12730750 | 0.78 | PARP15 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007114822-A1 | THERMALLY CURABLE EPOXY-AMINE BARRIER SEALANTS | NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) | 2007-10-11 | — | — | WO | disclosed |