Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAM | P19021 | 1/20 | 0.57 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29561303 | 0.79 | PAM (0.50) | PAMAPPNPSR1CYP1A2CYP3A4 | |
| SCHEMBL10673693 | 0.76 | NPSR1 (0.41) | PAMAPPNPSR1CYP1A2CYP3A4 | |
| SCHEMBL28359780 | 0.76 | PAM (0.55) | PAMAPPNPSR1CYP1A2CYP3A4 | |
| SCHEMBL23895807 | 0.73 | APP (0.55) | PAMAPPNPSR1CYP1A2CYP3A4 | |
| SCHEMBL10887521 | 0.73 | APP (0.55) | PAMAPPNPSR1CYP1A2CYP3A4 | |
| SCHEMBL28632566 | 0.72 | APP (0.61) | PAMAPPNPSR1CYP1A2CYP3A4 | |
| SCHEMBL29240580 | 0.71 | PAM (0.50) | PAMAPPNPSR1CYP1A2CYP3A4 | |
| Diphenylacetylene SCHEMBL23754281 | 0.69 | APP (0.75) | APPNPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9784153 | 0.69 | NPSR1 (0.63) | APPNPSR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL18867814 | 0.69 | APP (0.55) | PAMAPPNPSR1CYP1A2CYP3A4 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111004198-B | Synthetic method of benzopyran derivative | 瑞安宝源化工有限公司 | 2023-03-28 | — | — | CN | claimed |
| CN-111004198-A | Synthetic method of benzopyran derivative | 温州大学新材料与产业技术研究院 | 2020-04-14 | — | — | CN | claimed |
| CN-118103077-A | System and method for producing hyperpolarized material | 预视成像科技有限责任公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-111087375-B | Preparation method of 2H-chromene derivative | 瑞安宝源化工有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-111004198-B | Synthetic method of benzopyran derivative | 瑞安宝源化工有限公司 | 2023-03-28 | — | — | CN | disclosed |
| CN-111004198-B | Synthetic method of benzopyran derivative | 瑞安宝源化工有限公司 | 2023-03-28 | — | — | CN | disclosed |
| CN-113149916-B | Preparation method of fluorine-containing 1,4, 5-trisubstituted 1,2, 3-triazole | 江苏中利集团股份有限公司 | 2022-11-08 | — | — | CN | disclosed |
| CN-113149916-A | Preparation method of fluorine-containing 1,4, 5-trisubstituted 1,2, 3-triazole | 江苏中利集团股份有限公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-111087375-A | Preparation method of 2H-chromene derivative | 温州大学新材料与产业技术研究院 | 2020-05-01 | — | — | CN | disclosed |
| CN-111004198-A | Synthetic method of benzopyran derivative | 温州大学新材料与产业技术研究院 | 2020-04-14 | — | — | CN | disclosed |
| CN-111004198-A | Synthetic method of benzopyran derivative | 温州大学新材料与产业技术研究院 | 2020-04-14 | — | — | CN | disclosed |