Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | STAT1 | P42224 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1300653 | 0.86 | AURKA (0.53) | PDE4DSMN1; SMN2RAB9AKMT2ANPC1 | |
| SCHEMBL1300876 | 0.85 | RAB9A (0.53) | PDE4DSMN1; SMN2RAB9AKMT2ANPC1 | |
| SCHEMBL2162420 | 0.85 | SMN1; SMN2 (0.52) | PDE4DSMN1; SMN2RAB9AKMT2ANPC1 | |
| SCHEMBL12985586 | 0.84 | RAB9A (0.46) | PDE4DSMN1; SMN2RAB9AKMT2ANPC1 | |
| SCHEMBL8446295 | 0.82 | SMN1; SMN2 (0.46) | PDE4DSMN1; SMN2RAB9AKMT2ANPC1 | |
| SCHEMBL7512018 | 0.79 | PDE4D (0.54) | PDE4DSMN1; SMN2RAB9AKMT2ANPC1 | |
| SCHEMBL7512103 | 0.79 | SMN1; SMN2 (0.62) | PDE4DSMN1; SMN2RAB9AKMT2ANPC1 | |
| SCHEMBL16817619 | 0.79 | SMN1; SMN2 (0.46) | SMN1; SMN2RAB9AKMT2ANPC1AURKA | |
| SCHEMBL25541334 | 0.78 | TDP1 (0.54) | SMN1; SMN2RAB9AKMT2ANPC1MAPK1 | |
| SCHEMBL31335067 | 0.78 | HCAR2 (0.51) | SMN1; SMN2RAB9AKMT2ANPC1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2999694-B1 | PROCESS FOR PREPARING 3,5-BIS(FLUOROALKYL)PYRAZOLE DERIVATIVES FROM ALPHA,ALPHA -DIHALOAMINES | BAYER CROPSCIENCE AG (DE) | 2017-05-17 | — | — | EP | disclosed |