Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL10604942 | 0.97 | HIF1A (0.38) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Fluoride SCHEMBL10615440 | 0.97 | HIF1A (0.38) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| SCHEMBL29466729 | 0.97 | HIF1A (0.41) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| SCHEMBL7865522 | 0.94 | HIF1A (0.39) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Bromide SCHEMBL1010505 | 0.94 | HIF1A (0.39) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Iodide SCHEMBL723719 | 0.94 | HIF1A (0.39) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL7874744 | 0.94 | HIF1A (0.39) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Water SCHEMBL4816145 | 0.94 | HIF1A (0.39) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Iodide SCHEMBL3352425 | 0.92 | HIF1A (0.38) | HIF1ATDP1ESR1TAAR1SLC6A2 | |
| Bromide SCHEMBL8986440 | 0.89 | HIF1A (0.36) | HIF1ATDP1ESR1TAAR1SLC6A2 |
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 |