Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 10/20 | 0.42 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18414169 | 1.00 | SIGMAR1 (0.50) | SIGMAR1CYP1A2EPHX1NAAAFKBP1A | |
| SCHEMBL13313184 | 0.98 | SIGMAR1 (0.54) | SIGMAR1CYP1A2EPHX1NAAAFKBP1A | |
| SCHEMBL27625119 | 0.98 | SIGMAR1 (0.54) | SIGMAR1CYP1A2EPHX1NAAAFKBP1A | |
| SCHEMBL382926 | 0.98 | CYP1A2 (0.50) | SIGMAR1CYP1A2EPHX1NAAAFKBP1A | |
| SCHEMBL13313166 | 0.95 | CYP1A2 (0.54) | SIGMAR1CYP1A2EPHX1NAAAFKBP1A | |
| SCHEMBL23471287 | 0.91 | SIGMAR1 (0.39) | SIGMAR1CYP1A2EPHX1NAAA | |
| SCHEMBL6076883 | 0.91 | CYP1A2 (0.52) | SIGMAR1CYP1A2EPHX1NAAAFKBP1A | |
| SCHEMBL11157147 | 0.88 | CYP1A2 (0.56) | SIGMAR1CYP1A2EPHX1NAAAFKBP1A | |
| SCHEMBL12745051 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL7862370 | 0.86 | CYP1A2 (0.54) | SIGMAR1CYP1A2EPHX1NAAAFKBP1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023024532-A1 | ONE-STEP METHOD FOR PREPARING C-N COUPLING PRODUCT USING NITROAROMATIC HYDROCARBON AND ALKYL OR PHENYLBORONIC ACID | 江苏科技大学 | 2023-03-02 | — | — | WO | claimed |
| WO-2023024532-A1 | ONE-STEP METHOD FOR PREPARING C-N COUPLING PRODUCT USING NITROAROMATIC HYDROCARBON AND ALKYL OR PHENYLBORONIC ACID | 江苏科技大学 | 2023-03-02 | — | — | WO | disclosed |