Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.46 |
| ▸ | IDH1 | O75874 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5671549 | 0.98 | TP53 (0.52) | CYP1A2CYP2A6TP53CALM1IDH1 | |
| SCHEMBL8093871 | 0.95 | TP53 (0.56) | CYP1A2CYP2A6TP53CALM1IDH1 | |
| SCHEMBL5250820 | 0.95 | TP53 (0.52) | CYP1A2CYP2A6TP53CALM1IDH1 | |
| SCHEMBL29387515 | 0.95 | TP53 (0.52) | CYP1A2CYP2A6TP53CALM1IDH1 | |
| SCHEMBL7929099 | 0.93 | TP53 (0.59) | CYP1A2CYP2A6TP53CALM1IDH1 | |
| Ammonia Solution, Strong SCHEMBL9178401 | 0.91 | TP53 (0.56) | CYP1A2CYP2A6TP53CALM1IDH1 | |
| Hydrogen Peroxide SCHEMBL9777694 | 0.91 | TP53 (0.56) | CYP1A2CYP2A6TP53CALM1IDH1 | |
| SCHEMBL13182964 | 0.89 | LMNA (0.47) | CYP1A2CYP2A6TP53IDH1TRPA1 | |
| Ethylene SCHEMBL28222166 | 0.89 | TP53 (0.54) | CYP1A2CYP2A6TP53CALM1IDH1 | |
| SCHEMBL166894 | 0.87 | TP53 (0.61) | CYP1A2CYP2A6TP53TRPA1MGLL |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0708077-B1 | Diamino compounds and methods for preparing them | CHISSO CORP (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-5663440-A | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| EP-0708077-A1 | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1996-04-24 | — | — | EP | disclosed |