Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.40 |
| ▸ | CA2 | P00918 | 6/20 | 0.40 |
| ▸ | ACHE | P22303 | 6/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20377850 | 0.84 | CA1 (0.45) | CA1CA2ACHEPKMLMNA | |
| SCHEMBL18380886 | 0.84 | CA1 (0.45) | CA1CA2ACHEPKMLMNA | |
| SCHEMBL2051051 | 0.84 | — | — | |
| SCHEMBL11438411 | 0.80 | PKM (0.53) | CA1CA2PKMALDH1A1MAPT | |
| Bicarbonate SCHEMBL11359252 | 0.80 | PKM (0.44) | CA1CA2ACHEPKMLMNA | |
| SCHEMBL2869853 | 0.78 | EPHX1 (0.56) | CA1CA2PKMALDH1A1MAPT | |
| SCHEMBL135838 | 0.78 | EPHX1 (0.56) | CA1CA2PKMALDH1A1MAPT | |
| SCHEMBL9451038 | 0.78 | EPHX1 (0.56) | CA1CA2PKMALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL3720424 | 0.77 | PKM (0.54) | CA1CA2PKMALDH1A1MAPT | |
| SCHEMBL12385848 | 0.77 | EPHX1 (0.53) | CA1CA2ACHEDRD2ALDH1A1 |
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-2021004535-A1 | CINNOLINES AS INHIBITORS OF HPK 1 | NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) | 2021-01-14 | — | — | WO | disclosed |
| EP-3497091-B1 | CONDENSED THIOPHENE DERIVATIVES USEFUL AS NAPI-IIB INHIBITORS | LILLY CO ELI (US) | 2020-10-07 | — | — | EP | disclosed |