Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
| ▸ | MMP8 | P22894 | 2/20 | 0.38 |
| ▸ | MMP13 | P45452 | 2/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PSMD10 | O75832 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL30244603 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA9MMP2 | |
| SCHEMBL30380176 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA9MMP2 | |
| SCHEMBL23860254 | 0.98 | CA12 (0.41) | ALDH1A1CA12CA1CA9MMP2 | |
| SCHEMBL8796338 | 0.89 | CA12 (0.38) | ALDH1A1CA12CA1CA9MMP2 | |
| SCHEMBL30381034 | 0.88 | ALDH1A1 (0.42) | ALDH1A1CA12CA1CA9MMP2 | |
| SCHEMBL881292 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA9STAT3 | |
| SCHEMBL18644929 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA9STAT3 | |
| SCHEMBL478342 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA9STAT3 | |
| SCHEMBL1145153 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA9STAT3 | |
| SCHEMBL18613994 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA9STAT3 |
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-2022251588-A1 | HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE | HALDA THERAPEUTICS OPCO, INC. (US) | 2022-12-01 | — | — | WO | disclosed |