Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | PTGES | O14684 | 3/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8960256 | 0.82 | ALDH1A1 (0.41) | ALDH1A1KDM4EMEN1CYP1A2CYP3A4 | |
| SCHEMBL17940722 | 0.82 | KDM4E (0.36) | ALDH1A1KDM4EMEN1CYP1A2CYP3A4 | |
| SCHEMBL7677291 | 0.82 | MRGPRX1 (0.39) | ALDH1A1KDM4EMEN1CYP1A2CYP3A4 | |
| SCHEMBL27896461 | 0.80 | SLC22A12 (0.35) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3839029 | 0.79 | KDM4E (0.49) | ALDH1A1KDM4EMEN1CYP1A2CYP3A4 | |
| SCHEMBL5250349 | 0.78 | FFAR1 (0.43) | FFAR1ALDH1A1MEN1CYP1A2MAPT | |
| SCHEMBL10088537 | 0.77 | AR (0.45) | AR | |
| SCHEMBL1914296 | 0.77 | GABRA1 (0.36) | AR | |
| SCHEMBL20455567 | 0.77 | PTGES (0.36) | HSD11B1PTGESAR | |
| SCHEMBL20535166 | 0.75 | AR (0.44) | ALDH1A1CYP2C9HSD17B10AR |
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-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |
| WO-2010063487-A1 | PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2010-06-10 | — | — | WO | disclosed |