Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.60 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.60 |
| ▸ | ACLY | P53396 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.33 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30657022 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL7814389 | 0.82 | ALDH1A1 (0.44) | ACLYTHRBCA2ALDH1A1POLB | |
| Trifluoroacetic Acid SCHEMBL4598430 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL2484766 | 0.82 | ALDH1A1 (0.44) | ACLYTHRBCA2ALDH1A1POLB | |
| Trifluoroacetic Acid SCHEMBL474 | 0.82 | — | — | |
| Malonic Acid SCHEMBL28728663 | 0.81 | LDHA (0.53) | LDHASRRACLYTHRBALDH1A1 | |
| Succinic Acid SCHEMBL29896406 | 0.80 | LMNA (0.60) | ACLYTHRBALDH1A1MEN1KMT2A | |
| Succinic Acid SCHEMBL29896408 | 0.80 | LMNA (0.60) | ACLYTHRBALDH1A1MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL5701461 | 0.80 | ACLY (0.40) | LDHASRRACLYTHRBCA2 | |
| Trifluoroacetic Acid SCHEMBL28235039 | 0.79 | ALDH1A1 (0.38) | ACLYTHRBCA2ALDH1A1POLB |
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-105102468-A | C-3 alkyl and alkenyl modified betulinic acid derivatives for the treatment of HIV | BRISTOL MYERS SQUIBB CO | 2015-11-25 | — | — | CN | disclosed |