Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.59 |
| ▸ | CA2 | P00918 | 6/20 | 0.59 |
| ▸ | CA9 | Q16790 | 6/20 | 0.59 |
| ▸ | CA12 | O43570 | 5/20 | 0.59 |
| ▸ | CA7 | P43166 | 5/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.59 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.59 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | XDH | P47989 | 1/20 | 0.50 |
| ▸ | MYC | P01106 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL157593 | 1.00 | CA1 (0.59) | CA1CA2CA9CA12CA7 | |
| SCHEMBL28006090 | 0.92 | CA12 (0.52) | CA1CA2CA9CA12CA7 | |
| SCHEMBL10548787 | 0.85 | CA1 (0.56) | CA1CA2CA9CA12CA7 | |
| SCHEMBL31473107 | 0.80 | CA12 (0.57) | CA1CA2CA9CA12CA7 | |
| SCHEMBL947039 | 0.80 | CA12 (0.57) | CA1CA2CA9CA12CA7 | |
| SCHEMBL10882360 | 0.78 | CA12 (0.63) | CA1CA2CA9CA12CA7 | |
| SCHEMBL733030 | 0.78 | CA1 (0.55) | CA1CA2CA9CA12CA7 | |
| SCHEMBL3173889 | 0.78 | CA12 (0.59) | CA1CA2CA9CA12CA7 | |
| SCHEMBL3741831 | 0.78 | TSHR (0.63) | CA1CA2CA9CA12CA7 | |
| SCHEMBL11580589 | 0.77 | CYP1A2 (0.64) | CA1CA2CA9CA12CA7 |
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-116178143-B | 1, 4-Naphthalene dicarboxylic acid/ester, 1, 4-naphthalene dicarboxylic acid derivative, and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2024-10-01 | — | — | CN | disclosed |
| CN-116178143-A | 1, 4-naphthalene dicarboxylic acid/ester, 1, 4-naphthalene dicarboxylic acid derivative, and preparation method and application thereof | 中国科学院大连化学物理研究所 | 2023-05-30 | — | — | CN | disclosed |