Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.30 |
| ▸ | PRKCG | P05129 | 1/20 | 0.30 |
| ▸ | PRKCB | P05771 | 1/20 | 0.30 |
| ▸ | PRKCH | P24723 | 1/20 | 0.30 |
| ▸ | PRKCI | P41743 | 1/20 | 0.30 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.30 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.30 |
| ▸ | PRKCZ | Q05513 | 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 | |
|---|---|---|---|---|
| SCHEMBL22758497 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL13258499 | 0.90 | ALDH1A1 (0.42) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL19681320 | 0.88 | MMP1 (0.38) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL29696079 | 0.88 | ALDH1A1 (0.44) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL235021 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL17083541 | 0.82 | ALDH1A1 (0.48) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL8216917 | 0.82 | MMP1 (0.42) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL12756273 | 0.82 | NAAA (0.40) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL19681466 | 0.82 | ELANE (0.33) | PRKCAMMP1MMP2MMP3MMP9 | |
| SCHEMBL868957 | 0.82 | ALDH1A1 (0.37) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 |
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-2020247743-A2 | AEROGELS HAVING A CORE-SPOKE POLYMERIC MATRIX, METHODS OF MAKING, AND USES THEREOF | Blueshift Materials, Inc. (US) | 2020-12-10 | — | — | WO | disclosed |