Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2646 | 0.97 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL158259 | 0.82 | HPRT1 (0.67) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL1610741 | 0.77 | HSD17B10 (0.54) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL8358923 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL27415785 | 0.74 | ALDH1A1 (0.53) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL129325 | 0.74 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRTDP1CYP1A2 | |
| SCHEMBL6443221 | 0.72 | IFNAR1 (0.50) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Phenanthrene SCHEMBL27784116 | 0.72 | CYP2A6 (0.92) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Fluoride SCHEMBL28238612 | 0.71 | ALDH1A1 (0.56) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL4377802 | 0.68 | ALDH1A1 (0.85) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005123749-A1 | ORGANOBORON COMPOUND COMPRISING SULPHUR PENTAFLUORIDE | F2 CHEMICALS LIMITED (GB) | 2005-12-29 | — | — | WO | claimed |
| WO-2005123749-A1 | ORGANOBORON COMPOUND COMPRISING SULPHUR PENTAFLUORIDE | F2 CHEMICALS LIMITED (GB) | 2005-12-29 | — | — | WO | disclosed |