Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | NQO2 | P16083 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11942143 | 0.82 | IDO1 (0.42) | BACE1LMNACYP3A4IDO1TDP1 | |
| SCHEMBL24811163 | 0.82 | GABRA1 (0.36) | BACE1LMNACA12CA9CA1 | |
| Hydrochloric Acid SCHEMBL18706707 | 0.80 | IDO1 (0.35) | BACE1LMNACYP3A4IDO1TDP1 | |
| SCHEMBL31579242 | 0.73 | BACE1 (0.57) | BACE1LMNACA12CA9CA1 | |
| SCHEMBL2137363 | 0.73 | — | — | |
| Phloroglucinol SCHEMBL26136276 | 0.71 | BACE1 (0.80) | BACE1LMNACA12CA9CA1 | |
| SCHEMBL13653193 | 0.71 | — | — | |
| Phloroglucinol SCHEMBL26311 | 0.71 | — | — | |
| Phloroglucinol SCHEMBL30542958 | 0.71 | — | — | |
| Phloroglucinol SCHEMBL2889628 | 0.71 | BACE1 (1.00) | BACE1LMNACA12CA9CA1 |
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-113416315-B | Hyperbranched poly-tertiary amine shale inhibitor | 西南石油大学 | 2022-09-30 | — | — | CN | disclosed |
| CN-113416524-A | High-temperature-resistant hyperbranched poly-tertiary amine as shale inhibitor | 西南石油大学 | 2021-09-21 | — | — | CN | disclosed |