Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 2/20 | 0.32 |
| ▸ | GABRD | O14764 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31450548 | 0.97 | CA12 (0.33) | CA12CA14CA1CA2MEN1 | |
| SCHEMBL13007473 | 0.90 | HDAC6 (0.34) | CA12CA14CA1CA2MEN1 | |
| SCHEMBL26130398 | 0.88 | CA14 (0.42) | CA12CA14CA1CA2MEN1 | |
| SCHEMBL26130406 | 0.88 | CA14 (0.42) | CA12CA14CA1CA2MEN1 | |
| SCHEMBL16083948 | 0.88 | CA14 (0.42) | CA12CA14CA1CA2MEN1 | |
| SCHEMBL26129393 | 0.85 | CYP1A2 (0.38) | MEN1GAAKMT2AHDAC6HDAC1 | |
| SCHEMBL3626322 | 0.85 | CYP1A2 (0.38) | MEN1GAAKMT2AHDAC6HDAC1 | |
| SCHEMBL26129394 | 0.85 | CYP1A2 (0.38) | MEN1GAAKMT2AHDAC6HDAC1 | |
| SCHEMBL16284716 | 0.83 | CA14 (0.33) | CA12CA14CA1CA2MEN1 | |
| SCHEMBL15429390 | 0.82 | HDAC6 (0.34) | CA12CA14CA1CA2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115611760-A | Chemical synthesis method suitable for large-scale production of (S) -2-amino-5-alkynyl caproic acid | 天津药明康德新药开发有限公司 | 2023-01-17 | — | — | CN | disclosed |