Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL27549903 | 1.00 | TDP1 (0.50) | TDP1ALDH1A1KDM4EL3MBTL1TSHR | |
| Pyrazine SCHEMBL28194265 | 0.92 | ALDH1A1 (0.52) | TDP1ALDH1A1KDM4EL3MBTL1TSHR | |
| SCHEMBL7906546 | 0.89 | ALDH1A1 (0.50) | TDP1ALDH1A1KDM4EL3MBTL1TSHR | |
| SCHEMBL16484729 | 0.89 | ALDH1A1 (0.50) | TDP1ALDH1A1KDM4EL3MBTL1TSHR | |
| Anthracene SCHEMBL27949433 | 0.89 | ALDH1A1 (0.41) | TDP1ALDH1A1KDM4EL3MBTL1TSHR | |
| Pyridine SCHEMBL29266075 | 0.87 | ALDH1A1 (0.40) | TDP1ALDH1A1KDM4EL3MBTL1TSHR | |
| Pyridine SCHEMBL29267720 | 0.87 | KMT2A (0.42) | TDP1ALDH1A1KDM4EL3MBTL1TSHR | |
| Pyridazine SCHEMBL28435293 | 0.83 | ALDH1A1 (0.50) | TDP1ALDH1A1KDM4EL3MBTL1TSHR | |
| SCHEMBL6328963 | 0.82 | KCNA5 (0.53) | TDP1ALDH1A1KDM4EL3MBTL1TSHR | |
| Bromide SCHEMBL28357041 | 0.82 | NOTUM (0.64) | TDP1ALDH1A1KDM4EL3MBTL1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118063786-A | Novel MOF material and application thereof in lithium ion battery cathode | 苏州芼孚士科技有限公司 | 2024-05-24 | — | — | CN | claimed |
| CN-118063786-A | Novel MOF material and application thereof in lithium ion battery cathode | 苏州芼孚士科技有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-118063786-A | Novel MOF material and application thereof in lithium ion battery cathode | 苏州芼孚士科技有限公司 | 2024-05-24 | — | — | CN | disclosed |