Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14339199 | 0.88 | ALDH1A1 (0.52) | ALDH1A1KDM4ECYP2C9CYP1A2POLB | |
| SCHEMBL8612571 | 0.87 | CYP1A2 (0.46) | ALDH1A1KDM4ECYP2C9CYP1A2POLB | |
| SCHEMBL978291 | 0.83 | KDM4E (0.71) | ALDH1A1KDM4ECYP2C9CYP1A2POLB | |
| Hydrochloric Acid SCHEMBL10754121 | 0.81 | KDM4E (0.69) | ALDH1A1KDM4ECYP2C9CYP1A2POLB | |
| SCHEMBL28257389 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KDM4ECYP2C9CYP1A2POLB | |
| SCHEMBL10469508 | 0.81 | ALDH1A1 (0.63) | ALDH1A1KDM4ECYP2C9CYP1A2POLB | |
| SCHEMBL9018674 | 0.80 | CYP1A2 (0.50) | ALDH1A1KDM4ECYP2C9CYP1A2POLB | |
| SCHEMBL13162902 | 0.80 | SMN1; SMN2 (0.57) | ALDH1A1KDM4ECYP1A2RAB9ASMN1; SMN2 | |
| SCHEMBL4408334 | 0.79 | KDM4E (0.51) | ALDH1A1KDM4ECYP2C9CYP1A2POLB | |
| SCHEMBL15350813 | 0.79 | KDM4E (0.51) | ALDH1A1KDM4ECYP2C9CYP1A2POLB |
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-0743301-A2 | Benzoylguanidines containing fluorine | MERCK PATENT GmbH (DE) | 1996-11-20 | — | — | EP | disclosed |