Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 12/20 | 0.45 |
| ▸ | CA12 | O43570 | 10/20 | 0.45 |
| ▸ | CA1 | P00915 | 10/20 | 0.45 |
| ▸ | CA9 | Q16790 | 10/20 | 0.45 |
| ▸ | CA7 | P43166 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28149402 | 0.80 | ENPP2 (0.45) | ALDH1A1PTGS2PTGS1 | |
| Boric Acid SCHEMBL27924095 | 0.78 | ALDH1A1 (0.41) | ALDH1A1POLBTDP1TSHR | |
| SCHEMBL21556124 | 0.77 | ALDH1A1 (0.59) | ALDH1A1HTTCA2CA12CA1 | |
| SCHEMBL790008 | 0.76 | CA2 (0.43) | ALDH1A1HTTCA2CA12CA1 | |
| Boric Acid SCHEMBL28233693 | 0.75 | ACHE (0.38) | ALDH1A1CA2CA1CA9POLB | |
| Boric Acid SCHEMBL28801697 | 0.75 | MEN1 (0.47) | ALDH1A1TSHR | |
| Boric Acid SCHEMBL27891800 | 0.74 | GAA (0.44) | ALDH1A1CA2CA1CA9 | |
| Boric Acid SCHEMBL28885301 | 0.74 | CA1 (0.43) | ALDH1A1HTTCA2CA1CA9 | |
| Boric Acid SCHEMBL28032687 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL7826045 | 0.73 | CA2 (0.51) | ALDH1A1HTTCA2CA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105814061-B | Imidazopyridazine derivative as TNF active regulators | UCB生物制药私人有限公司 | 2018-01-26 | — | — | CN | disclosed |
| CN-105814061-A | Imidazopyridazine derivatives as modulators of TNF activity | UCB生物制药私人有限公司 | 2016-07-27 | — | — | CN | disclosed |
| CN-102725287-B | 1,3, 4-oxadiazole-2-carboxamide compounds | PHARMA IP GENERAL INC ASS | 2015-07-01 | — | — | CN | disclosed |