Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | TNF | P01375 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28800693 | 0.98 | CA12 (0.47) | CA12CA1CA2CA9TNF | |
| Hydrochloric Acid SCHEMBL27851161 | 0.98 | CA12 (0.47) | CA12CA1CA2CA9TNF | |
| SCHEMBL2423163 | 0.90 | KDM4E (0.43) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL316112 | 0.83 | TNF (0.57) | CA12CA1CA2CA9TNF | |
| Hydrochloric Acid SCHEMBL2546050 | 0.81 | TNF (0.55) | CA12CA1CA2CA9TNF | |
| SCHEMBL27988223 | 0.81 | TNF (0.61) | CA12CA1CA2CA9TNF | |
| SCHEMBL69345 | 0.81 | TNF (0.61) | CA12CA1CA2CA9TNF | |
| SCHEMBL29399206 | 0.81 | TNF (0.61) | CA12CA1CA2CA9TNF | |
| Phenanthrene SCHEMBL28869286 | 0.79 | ALDH1A1 (0.60) | ALDH1A1HPGDTDP1TSHRHSD17B10 | |
| Hydrogen Sulfide SCHEMBL29156136 | 0.79 | TNF (0.59) | CA12CA1CA2CA9TNF |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102858776-A | Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes as vasopressin V1a receptor antagonists | HOFFMANN LA ROCHE | 2013-01-02 | — | — | CN | claimed |
| CN-102858776-A | Heteroaryl-cyclohexyl-tetraazabenzo[e]azulenes as vasopressin V1a receptor antagonists | HOFFMANN LA ROCHE | 2013-01-02 | — | — | CN | disclosed |
| CN-101287738-B | Imidazo benzodiazepine derivatives | HOFFMANN LA ROCHE | 2011-08-10 | — | — | CN | disclosed |
| CN-101287738-A | Imidazo benzodiazepine derivatives | HOFFMANN LA ROCHE (CH) | 2008-10-15 | — | — | CN | disclosed |