Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.43 |
| ▸ | HTR2A | P28223 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | IGFBP3 | P17936 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL328380 | 0.92 | SLC6A4 (0.50) | HSPB1ARSLC6A4HTR2AKCNH2 | |
| SCHEMBL22199016 | 0.90 | ACHE (0.50) | HSPB1ARALDH1A1MAPTMEN1 | |
| SCHEMBL328386 | 0.89 | HTR2A (0.48) | SLC6A4HTR2AKCNH2ALDH1A1MAPT | |
| SCHEMBL328382 | 0.88 | SLC6A4 (0.45) | SLC6A4HTR2ASLC6A2ALDH1A1HTR1A | |
| SCHEMBL8298015 | 0.88 | HSPB1 (0.58) | HSPB1ARSLC6A4HTR2AKCNH2 | |
| SCHEMBL26493853 | 0.87 | ACHE (0.46) | SLC6A4KCNH2SLC6A2ALDH1A1SLC6A3 | |
| SCHEMBL27115327 | 0.86 | ALDH1A1 (0.44) | HSPB1SLC6A4SLC6A2ALDH1A1MAPT | |
| SCHEMBL22199039 | 0.86 | GPR3 (0.46) | HSPB1ARSLC6A4HTR2AKCNH2 | |
| SCHEMBL16216739 | 0.86 | TSHR (0.45) | HSPB1SLC6A4HTR2AKCNH2SLC6A2 | |
| SCHEMBL15360092 | 0.85 | SLC6A4 (0.55) | SLC6A4HTR2AKCNH2SLC6A2ALDH1A1 |
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-2020141439-A1 | HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS | INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) | 2020-07-09 | — | — | WO | disclosed |