Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8557526 | 0.86 | LMNA (0.62) | CYP1A2CYP2C9CYP2C19MCHR1CHRM2 | |
| SCHEMBL30967549 | 0.82 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19MCHR1CHRM2 | |
| SCHEMBL11261747 | 0.82 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19MCHR1CHRM2 | |
| SCHEMBL110932 | 0.82 | CYP1A2 (0.81) | CYP1A2CYP2C9CYP2C19MCHR1CHRM2 | |
| SCHEMBL7928280 | 0.81 | MCHR1 (0.58) | CYP1A2CYP2C9CYP2C19MCHR1CHRM2 | |
| SCHEMBL28092527 | 0.81 | CD44 (0.43) | CYP1A2CYP2C9CYP2C19MCHR1ALDH1A1 | |
| SCHEMBL1141672 | 0.81 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19MCHR1ALDH1A1 | |
| SCHEMBL307639 | 0.81 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19CHRM2ALDH1A1 | |
| SCHEMBL5050464 | 0.80 | ALDH1A1 (0.67) | CYP1A2CYP2C9CYP2C19CHRM2ALDH1A1 | |
| SCHEMBL9225027 | 0.79 | CYP1A2 (0.55) | CYP1A2CYP2C9CYP2C19MCHR1CHRM2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110551054-A | maleimide derivative, and preparation method and application thereof | TECHNICAL INST PHYSICS & CHEMISTRY CAS | 2019-12-10 | — | — | CN | claimed |
| CN-112390811-B | Dithia-anthrone derivative and preparation method and application thereof | 中国科学院理化技术研究所 | 2022-03-04 | — | — | CN | disclosed |
| CN-110551054-B | Maleimide derivative, and preparation method and application thereof | 中国科学院理化技术研究所 | 2021-04-02 | — | — | CN | disclosed |
| CN-112390811-A | Dithia-anthrone derivative and preparation method and application thereof | 中国科学院理化技术研究所 | 2021-02-23 | — | — | CN | disclosed |
| CN-110551054-A | maleimide derivative, and preparation method and application thereof | TECHNICAL INST PHYSICS & CHEMISTRY CAS | 2019-12-10 | — | — | CN | disclosed |