Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19852093 | 0.82 | LMNA (0.43) | TDP1ELANEALDH1A1AGTR1LMNA | |
| SCHEMBL7286383 | 0.79 | CASP3 (0.41) | TDP1CASP3ALDH1A1BCHECES1 | |
| SCHEMBL11953285 | 0.79 | CASP3 (0.44) | CASP3ALDH1A1LMNAGAAKMT2A | |
| SCHEMBL11350324 | 0.77 | ELANE (0.37) | TDP1ELANECASP3ALDH1A1LMNA | |
| SCHEMBL11350330 | 0.77 | ELANE (0.37) | TDP1ELANECASP3ALDH1A1LMNA | |
| SCHEMBL534520 | 0.77 | ALDH1A1 (0.43) | ELANECASP3ALDH1A1KMT2ABCHE | |
| SCHEMBL23222939 | 0.76 | ALDH1A1 (0.42) | TDP1CASP3ALDH1A1BCHECES1 | |
| SCHEMBL22026217 | 0.74 | ALDH1A1 (0.41) | ELANECASP3ALDH1A1LMNAGAA | |
| SCHEMBL2156119 | 0.73 | CASP3 (0.46) | CASP3ALDH1A1KMT2ACES1 | |
| SCHEMBL30472938 | 0.73 | CASP3 (0.46) | CASP3ALDH1A1KMT2ACES1 |
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-2010083403-A1 | FUSED AMINO PYRIDINES FOR THE TREATMENT OF BRAIN TUMORS | CURIS, INC. (US) | 2010-07-22 | — | — | WO | disclosed |
| WO-2008003445-A1 | FLUOROSURFACTANTS | MERCK PATENT GMBH (DE) | 2008-01-10 | — | — | WO | disclosed |