Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11699 | 0.89 | — | — | |
| SCHEMBL29277663 | 0.87 | — | — | |
| Iodide SCHEMBL31425559 | 0.87 | TAAR1 (0.59) | TAAR1CYP1A2CYP2A6HRH3LOXL2 | |
| Bromide SCHEMBL31513706 | 0.87 | TAAR1 (0.59) | TAAR1CYP1A2CYP2A6HRH3LOXL2 | |
| Hydrochloric Acid SCHEMBL1938665 | 0.87 | TAAR1 (0.59) | TAAR1CYP1A2CYP2A6HRH3LOXL2 | |
| Ammonia Solution, Strong SCHEMBL6947334 | 0.87 | TAAR1 (0.59) | TAAR1CYP1A2CYP2A6HRH3LOXL2 | |
| SCHEMBL260102 | 0.82 | HRH3 (0.74) | TAAR1CYP1A2CYP2A6HRH3LOXL2 | |
| SCHEMBL11779553 | 0.81 | LOXL2 (0.52) | TAAR1CYP1A2CYP2A6HRH3LOXL2 | |
| SCHEMBL28196044 | 0.78 | TAAR1 (0.50) | TAAR1CYP1A2CYP2A6HRH3LOXL2 | |
| P-Xylene SCHEMBL28832784 | 0.78 | ACHE (0.67) | CYP2A6IDO1ACHETDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111187185-A | Method for synthesizing allyl azide derivative | 西南民族大学 | 2020-05-22 | — | — | CN | claimed |
| CN-111187185-B | Method for synthesizing allyl azide derivative | 西南民族大学 | 2022-03-08 | — | — | CN | disclosed |
| CN-111187185-A | Method for synthesizing allyl azide derivative | 西南民族大学 | 2020-05-22 | — | — | CN | disclosed |