Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Isothiocyanate SCHEMBL2820375 | 1.00 | ACHE (0.34) | ACHEEPHX1POLBKMT2A | |
| Isothiocyanate SCHEMBL332187 | 1.00 | ACHE (0.34) | ACHEEPHX1POLBKMT2A | |
| Carbimide SCHEMBL471891 | 0.88 | ACHE (0.37) | ACHEEPHX1POLBKMT2A | |
| SCHEMBL28843554 | 0.82 | KMT2A (0.39) | ACHEEPHX1KMT2A | |
| SCHEMBL265848 | 0.82 | KMT2A (0.39) | ACHEEPHX1KMT2A | |
| SCHEMBL27523277 | 0.82 | KMT2A (0.39) | ACHEEPHX1KMT2A | |
| SCHEMBL15575 | 0.82 | KMT2A (0.39) | ACHEEPHX1KMT2A | |
| Cyclohexane SCHEMBL9547725 | 0.82 | KMT2A (0.39) | ACHEEPHX1KMT2A | |
| SCHEMBL498527 | 0.82 | KMT2A (0.39) | ACHEEPHX1KMT2A | |
| Cycloheptane SCHEMBL23885013 | 0.80 | ACHE (0.43) | ACHEEPHX1POLBKMT2A |
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-111807967-A | Preparation method of methylcyclohexanetriamine and methylcyclohexane triiso (thio) cyanate | 西安近代化学研究所 | 2020-10-23 | — | — | CN | claimed |
| CN-111807967-A | Preparation method of methylcyclohexanetriamine and methylcyclohexane triiso (thio) cyanate | 西安近代化学研究所 | 2020-10-23 | — | — | CN | disclosed |