Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.45 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.45 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.45 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.45 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1495863 | 0.90 | HDAC1 (0.62) | HDAC1HDAC6NOTUMCYP2C9KCNQ3 | |
| SCHEMBL3655388 | 0.86 | HDAC1 (0.54) | HDAC1HDAC6NOTUMCYP2C9KCNQ3 | |
| SCHEMBL22012866 | 0.81 | CA1 (0.45) | NOTUMCYP2C9CA12CA1CA2 | |
| SCHEMBL854583 | 0.76 | NOTUM (0.54) | NOTUMCYP2C9CA12CA1CA2 | |
| SCHEMBL29664708 | 0.76 | CES2 (0.59) | NOTUMCYP2C9CA12CA1CA2 | |
| SCHEMBL14012582 | 0.76 | CES2 (0.59) | NOTUMCYP2C9CA12CA1CA2 | |
| SCHEMBL383936 | 0.76 | CES2 (0.59) | NOTUMCYP2C9CA12CA1CA2 | |
| SCHEMBL12569420 | 0.75 | HDAC1 (0.56) | HDAC1HDAC6NOTUMKCNQ3KCNQ2 | |
| SCHEMBL29825107 | 0.75 | ALDH1A1 (0.58) | NOTUMCYP2C9KCNQ3KCNQ2KCNE1 | |
| SCHEMBL15968586 | 0.75 | ALDH1A1 (0.58) | NOTUMCYP2C9KCNQ3KCNQ2KCNE1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1781661-A2 | VASOPRESSIN V1A ANTAGONISTS | Ferring B.V. (NL) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006021213-A2 | VASOPRESSIN V1A ANTAGONISTS | FERRING B.V. (NL) | 2006-03-02 | — | — | WO | disclosed |