Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.40 |
| ▸ | CCR1 | P32246 | 2/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | CCR8 | P51685 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8369 | 0.87 | — | — | |
| SCHEMBL30500259 | 0.87 | — | — | |
| Benzene SCHEMBL27526163 | 0.85 | LMNA (0.48) | KDM4ELMNAP4HTMCCR1CCR5 | |
| SCHEMBL28796339 | 0.85 | — | — | |
| Dipyridyl SCHEMBL27634628 | 0.75 | KDM4E (0.74) | CYP2A6KDM4ELMNAP4HTMCCR1 | |
| SCHEMBL27653492 | 0.73 | NOS3 (0.39) | KDM4ELMNAP4HTMCCR1CCR5 | |
| Quinoxaline SCHEMBL27719731 | 0.72 | ALDH1A1 (0.46) | CYP2A6KDM4ELMNAP4HTMCCR1 | |
| Pyrimidine SCHEMBL25310914 | 0.71 | NPC1 (0.43) | CYP2A6KDM4ELMNAP4HTMCCR1 | |
| Pyrimidine SCHEMBL2651374 | 0.71 | KDM4E (0.40) | CYP2A6KDM4ELMNAP4HTMCCR1 | |
| 2-Aminopyridine SCHEMBL28051349 | 0.71 | NOS3 (0.76) | CYP2A6KDM4ELMNAP4HTMCCR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1053788-A | Pyridyl oxygen pyrimidine derivatives and preparation method thereof and contain the herbicidal composition of this derivative as active ingredient | MITSUI TOATSU CHEMICALS (JP) | 1991-08-14 | — | — | CN | claimed |
| CN-1053788-A | Pyridyl oxygen pyrimidine derivatives and preparation method thereof and contain the herbicidal composition of this derivative as active ingredient | MITSUI TOATSU CHEMICALS (JP) | 1991-08-14 | — | — | CN | disclosed |