Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL151108 | 0.89 | EPHX1 (0.50) | EPHX1TP53HPGDALOX12ALDH1A1 | |
| 1-Hexanol SCHEMBL11445517 | 0.86 | EPHX1 (0.48) | EPHX1TP53HPGDALOX12ALDH1A1 | |
| Dodecanol SCHEMBL11857644 | 0.86 | EPHX1 (0.48) | EPHX1TP53HPGDALOX12ALDH1A1 | |
| SCHEMBL28347671 | 0.83 | ALDH1A1 (0.50) | EPHX1ALDH1A1TDP1KMT2A | |
| Hexane SCHEMBL28046900 | 0.83 | EPHX1 (0.44) | EPHX1TP53HPGDALOX12ALDH1A1 | |
| Acetic Acid SCHEMBL28620545 | 0.82 | KMT2A (0.41) | TP53HPGDALOX12ALDH1A1KDM4E | |
| SCHEMBL27955552 | 0.81 | ALDH1A1 (0.47) | EPHX1ALDH1A1TDP1SMN1; SMN2KMT2A | |
| Alcohol SCHEMBL5743324 | 0.80 | KMT2A (0.41) | TP53HPGDALOX12ALDH1A1KDM4E | |
| Palmitic Acid SCHEMBL20953984 | 0.80 | GPR84 (0.52) | TP53HPGDALOX12ALDH1A1TDP1 | |
| Stearic Acid SCHEMBL20953986 | 0.80 | GPR84 (0.52) | TP53HPGDALOX12ALDH1A1TDP1 |
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-0104888-A1 | Process for preparing 2-hydroxy-2-phenylethylamines | ELI LILLY AND COMPANY (US) | 1984-04-04 | — | — | EP | disclosed |