Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ACP3 | P15309 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Naphthalen-1-Yl-Methanol SCHEMBL27326059 | 0.93 | TDP1 (0.57) | CYP1A2CYP2C19CYP2C9TDP1ACP3 | |
| Naphthalen-1-Yl-Methanol SCHEMBL28403 | 0.93 | CYP1A2 (0.60) | CYP1A2CYP2C19CYP2C9TDP1ACP3 | |
| Naphthalen-1-Yl-Methanol SCHEMBL27446769 | 0.91 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2C9TDP1ACP3 | |
| Naphthalen-1-Yl-Methanol SCHEMBL17697792 | 0.86 | TDP1 (0.59) | CYP1A2CYP2C19CYP2C9TDP1ACP3 | |
| Naphthalen-1-Yl-Methanol SCHEMBL10490188 | 0.86 | CYP2C19 (0.55) | CYP1A2CYP2C19CYP2C9TDP1ACP3 | |
| Naphthalen-1-Yl-Methanol SCHEMBL27605447 | 0.81 | TDP1 (0.63) | CYP1A2CYP2C19CYP2C9TDP1ACP3 | |
| SCHEMBL129025 | 0.80 | HPRT1 (0.61) | CYP1A2CYP2C19CYP2C9TDP1ACP3 | |
| SCHEMBL29391795 | 0.80 | HPRT1 (0.61) | CYP1A2CYP2C19CYP2C9TDP1ACP3 | |
| Naphthalen-1-Yl-Methanol SCHEMBL971788 | 0.78 | L3MBTL1 (0.47) | CYP1A2CYP2C19CYP2C9TDP1ACP3 | |
| SCHEMBL27550 | 0.77 | CYP1A2 (0.54) | CYP1A2CYP2C19CYP2C9TDP1ACP3 |
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-113387799-B | Preparation method of gamma, gamma-diaryl ester or gamma, gamma-triaryl ester compound and product thereof | 南京工业大学 | 2021-12-21 | — | — | CN | claimed |
| CN-113387799-A | Preparation method of gamma, gamma-diaryl ester or gamma, gamma-triaryl ester compound and product thereof | 南京工业大学 | 2021-09-14 | — | — | CN | claimed |