Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30634705 | 0.94 | TSHR (0.53) | TSHRACHEALDH1A1CA1CA2 | |
| Hydrochloric Acid SCHEMBL11444635 | 0.92 | TSHR (0.50) | TSHRACHEALDH1A1CA1CA2 | |
| Fluoride Ion SCHEMBL943596 | 0.92 | TSHR (0.50) | TSHRACHEALDH1A1CA1CA2 | |
| Bromide SCHEMBL7873025 | 0.92 | TSHR (0.50) | TSHRACHEALDH1A1CA1CA2 | |
| Water SCHEMBL4384424 | 0.92 | TSHR (0.50) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL7874600 | 0.87 | ACHE (0.41) | TSHRACHEALDH1A1CA1CA2 | |
| Phenol SCHEMBL7872892 | 0.85 | TSHR (0.39) | TSHRACHEALDH1A1CA1CA2 | |
| Bromide SCHEMBL7886102 | 0.77 | TSHR (0.41) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL7872975 | 0.76 | TSHR (0.45) | TSHRACHEALDH1A1CYP3A4CYP1A2 | |
| Bromide SCHEMBL9067697 | 0.72 | TSHR (0.47) | TSHRACHEALDH1A1CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |