Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2836233 | 0.84 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL2836235 | 0.84 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL5469389 | 0.84 | CA12 (0.53) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| Styramate SCHEMBL487238 | 0.81 | SMN1; SMN2 (0.70) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| Styramate SCHEMBL22716369 | 0.81 | SMN1; SMN2 (0.70) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL10362252 | 0.81 | ALDH1A1 (0.50) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL5566856 | 0.81 | ALDH1A1 (0.50) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL4954685 | 0.81 | CHRM1 (0.53) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| Styramate SCHEMBL13879238 | 0.81 | SMN1; SMN2 (0.70) | SMN1; SMN2CYP1A2CYP2D6PKMNPSR1 | |
| SCHEMBL11337335 | 0.79 | ALDH1A1 (0.70) | SMN1; SMN2LMNABCAT2KDM4EL3MBTL1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109942443-B | Fluorinated tertiary amine compounds and methods of synthesis and use thereof | 中国医学科学院生物医学工程研究所 | 2022-07-08 | — | — | CN | claimed |
| CN-107823184-B | Preparation method and application of redox sensitive induced pH response nano-drug carrier | 中国医学科学院生物医学工程研究所 | 2020-10-23 | — | — | CN | claimed |
| CN-107684628-B | Preparation method and application of fluorine-19 magnetic resonance contrast probe for sulfydryl detection | 中国医学科学院生物医学工程研究所 | 2020-05-22 | — | — | CN | claimed |
| CN-109942443-B | Fluorinated tertiary amine compounds and methods of synthesis and use thereof | 中国医学科学院生物医学工程研究所 | 2022-07-08 | — | — | CN | disclosed |
| CN-107823184-B | Preparation method and application of redox sensitive induced pH response nano-drug carrier | 中国医学科学院生物医学工程研究所 | 2020-10-23 | — | — | CN | disclosed |
| CN-107684628-B | Preparation method and application of fluorine-19 magnetic resonance contrast probe for sulfydryl detection | 中国医学科学院生物医学工程研究所 | 2020-05-22 | — | — | CN | disclosed |
| CN-107721888-B | Oxidation-reduction induced pH response type methacrylate fluorine-containing monomer, and synthesis method and application thereof | 中国医学科学院生物医学工程研究所 | 2020-04-21 | — | — | CN | disclosed |