Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 5/20 | 0.37 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7906709 | 0.82 | CA1 (0.41) | XDHSLC22A12CYP1A2KDM4ECYP2C9 | |
| SCHEMBL25598480 | 0.77 | BCL2 (0.46) | XDHGRM5 | |
| SCHEMBL7913890 | 0.71 | KDM4E (0.38) | SLC22A12CYP1A2KDM4ECYP2C9CYP2C19 | |
| SCHEMBL16502459 | 0.70 | XDH (0.44) | XDHSLC22A12GRM5 | |
| SCHEMBL16502485 | 0.70 | XDH (0.44) | XDHSLC22A12 | |
| SCHEMBL16509469 | 0.70 | KDM4E (0.51) | XDHKDM4E | |
| SCHEMBL16502465 | 0.70 | SLC22A12 (0.46) | XDHSLC22A12CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16509499 | 0.69 | NPC1 (0.43) | XDHCYP1A2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL16502483 | 0.69 | PLAU (0.42) | XDHKDM4EALDH1A1NPC1MAPT | |
| SCHEMBL16502455 | 0.69 | GRM5 (0.41) | XDHGRM5KDM4ENPC1LMNA |
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-2394987-A1 | ACYLGUANIDINE DERIVATIVE | Astellas Pharma Inc. (JP) | 2011-12-14 | — | — | EP | disclosed |