Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 5/20 | 0.56 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TEAD3 | Q99594 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7279696 | 0.82 | PKM (0.63) | PKMLTA4HGAAALDH1A1TSHR | |
| SCHEMBL21384057 | 0.81 | PKM (0.62) | PKMLTA4HGAAALDH1A1ACHE | |
| SCHEMBL16698725 | 0.79 | PKM (0.53) | PKMLTA4HGAAALDH1A1MAPT | |
| SCHEMBL27363764 | 0.79 | PKM (0.56) | PKMLTA4HGAAALDH1A1MAPT | |
| SCHEMBL2075307 | 0.79 | PKM (0.53) | PKMLTA4HGAAALDH1A1MAPT | |
| SCHEMBL31441597 | 0.79 | PKM (0.47) | PKMLTA4HGAAALDH1A1TSHR | |
| SCHEMBL31441761 | 0.79 | PKM (0.47) | PKMLTA4HGAAALDH1A1TSHR | |
| SCHEMBL3019770 | 0.78 | PKM (0.49) | PKMLTA4HGAAALDH1A1MAPT | |
| SCHEMBL9145422 | 0.78 | PKM (0.52) | PKMLTA4HGAAALDH1A1TSHR | |
| SCHEMBL9864517 | 0.77 | GSK3A (0.61) | PKMLTA4HGAAALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023018471-A9 | PIPERAZINE-BASED AGONISTS OF LFA-1 AND VLA-4 | TEXAS HEART INSTITUTE (US) | 2023-07-13 | — | — | WO | disclosed |
| WO-2023018471-A1 | PIPERAZINE-BASED AGONISTS OF LFA-1 AND VLA-4 | TEXAS HEART INSTITUTE (US) | 2023-02-16 | — | — | WO | disclosed |