Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL151108 | 0.93 | EPHX1 (0.50) | EPHX1LMNAPOLBUSP2SMN1; SMN2 | |
| 1-Hexanol SCHEMBL11445517 | 0.86 | EPHX1 (0.48) | EPHX1LMNAPOLBUSP2SMN1; SMN2 | |
| Dodecanol SCHEMBL11857644 | 0.86 | EPHX1 (0.48) | EPHX1LMNAPOLBUSP2SMN1; SMN2 | |
| SCHEMBL28810834 | 0.85 | KMT2A (0.38) | LMNAPOLBUSP2SMN1; SMN2KDM4E | |
| SCHEMBL27955552 | 0.84 | ALDH1A1 (0.47) | EPHX1SMN1; SMN2HTTALDH1A1KMT2A | |
| Propylene Glycol SCHEMBL27718817 | 0.83 | TDP1 (0.40) | LMNAPOLBUSP2SMN1; SMN2KDM4E | |
| Heptane SCHEMBL11109441 | 0.83 | EPHX1 (0.46) | EPHX1LMNAPOLBUSP2SMN1; SMN2 | |
| SCHEMBL28347671 | 0.83 | ALDH1A1 (0.50) | EPHX1HTTALDH1A1KMT2A | |
| Alcohol SCHEMBL5743324 | 0.82 | KMT2A (0.41) | LMNAPOLBUSP2SMN1; SMN2KDM4E | |
| SCHEMBL20394647 | 0.82 | SMN1; SMN2 (0.47) | EPHX1LMNAPOLBUSP2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105158381-A | Method for detecting monoester, diester and triester in triethanolamine ester quaternary ammonium salt | GUANGZHOU TINCI MATERIALS TECH CO LTD | 2015-12-16 | — | — | CN | disclosed |