Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2933394 | 1.00 | TSHR (0.43) | TSHRACHELMNAALOX12ALDH1A1 | |
| SCHEMBL14603956 | 0.98 | TSHR (0.41) | TSHRACHELMNAALOX12ALDH1A1 | |
| SCHEMBL28379430 | 0.98 | TSHR (0.41) | TSHRACHELMNAALOX12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28380243 | 0.98 | TSHR (0.41) | TSHRACHELMNAALOX12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2154269 | 0.98 | TSHR (0.41) | TSHRACHELMNAALOX12ALDH1A1 | |
| SCHEMBL8165675 | 0.93 | TSHR (0.41) | TSHRACHELMNAALOX12ALDH1A1 | |
| SCHEMBL11311009 | 0.86 | ACHE (0.39) | TSHRACHELMNAALOX12ALDH1A1 | |
| SCHEMBL3629579 | 0.86 | ACHE (0.39) | TSHRACHEALDH1A1CA1CA2 | |
| SCHEMBL9852854 | 0.84 | TRPA1 (0.38) | TSHRACHELMNAALOX12ALDH1A1 | |
| SCHEMBL146928 | 0.84 | TSHR (0.53) | TSHRACHELMNAALOX12ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104144937-B | Diphosphonium salt and method for producing same | 广荣化学工业株式会社 | 2017-04-26 | — | — | CN | disclosed |