Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPEP | Q07075 | 2/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TACR3 | P29371 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25460709 | 0.88 | TRPA1 (0.45) | ENPEPTRPA1SMN1; SMN2HIF1ACYP3A4 | |
| SCHEMBL1887929 | 0.85 | TACR3 (0.52) | ENPEPTRPA1SMN1; SMN2HIF1AALDH1A1 | |
| SCHEMBL12637411 | 0.85 | TACR3 (0.52) | ENPEPTRPA1SMN1; SMN2HIF1AALDH1A1 | |
| SCHEMBL25453666 | 0.83 | TRPA1 (0.46) | ENPEPTRPA1CYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL16976217 | 0.80 | LMNA (0.57) | ENPEPTRPA1SMN1; SMN2HIF1ACYP3A4 | |
| SCHEMBL21302016 | 0.80 | LMNA (0.57) | ENPEPTRPA1SMN1; SMN2HIF1ACYP3A4 | |
| SCHEMBL11495672 | 0.80 | SMN1; SMN2 (0.50) | ENPEPSMN1; SMN2HIF1ACYP3A4ALDH1A1 | |
| SCHEMBL29173166 | 0.80 | LMNA (0.57) | ENPEPTRPA1SMN1; SMN2HIF1ACYP3A4 | |
| SCHEMBL11495669 | 0.80 | SMN1; SMN2 (0.50) | ENPEPSMN1; SMN2HIF1ACYP3A4ALDH1A1 | |
| SCHEMBL24960026 | 0.80 | MME (0.44) | ALDH1A1LMNACYP2D6CYP1A2MAPT |
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-2021202600-A1 | SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ | THE SCRIPPS RESEARCH INSTITUTE (US) | 2021-10-07 | — | — | WO | disclosed |