Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.63 |
| ▸ | CFTR | P13569 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | ATM | Q13315 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Dimethyl Phthalate SCHEMBL28404092 | 1.00 | TSHR (0.65) | TSHRLMNAALDH1A1HSD17B10CFTR | |
| Dimethyl Phthalate SCHEMBL31169078 | 1.00 | TSHR (0.65) | TSHRLMNAALDH1A1HSD17B10CFTR | |
| Dimethyl Phthalate SCHEMBL34630 | 0.93 | TSHR (0.74) | TSHRLMNAALDH1A1HSD17B10CFTR | |
| Dimethyl Phthalate SCHEMBL29500970 | 0.93 | TSHR (0.74) | TSHRLMNAALDH1A1HSD17B10CFTR | |
| Dimethyl Phthalate SCHEMBL29669976 | 0.93 | TSHR (0.74) | TSHRLMNAALDH1A1HSD17B10CFTR | |
| Dimethyl Phthalate SCHEMBL790124 | 0.93 | TSHR (0.74) | TSHRLMNAALDH1A1HSD17B10CFTR | |
| SCHEMBL23275561 | 0.92 | TSHR (0.57) | TSHRLMNAALDH1A1HSD17B10CFTR | |
| Dimethyl Phthalate SCHEMBL30278536 | 0.90 | TSHR (0.71) | TSHRLMNAALDH1A1HSD17B10CFTR | |
| Dimethyl Phthalate SCHEMBL10602130 | 0.90 | TSHR (0.71) | TSHRLMNAALDH1A1HSD17B10CFTR | |
| Dimethyl Phthalate SCHEMBL28376050 | 0.90 | TSHR (0.71) | TSHRLMNAALDH1A1HSD17B10CFTR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021077424-A1 | PREPARATION METHOD FOR TRANS-CYCLOBUTANE PHTHALATE AND DERIVATIVE THEREOF | 吉林凯莱英制药有限公司 | 2021-04-29 | — | — | WO | disclosed |