Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.60 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.46 |
| ▸ | CA3 | P07451 | 3/20 | 0.46 |
| ▸ | CA4 | P22748 | 3/20 | 0.46 |
| ▸ | CA6 | P23280 | 3/20 | 0.46 |
| ▸ | CA5A | P35218 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9340091 | 0.86 | CA2 (0.58) | CA2TSHRHSD11B1CA1MMP1 | |
| SCHEMBL7356440 | 0.85 | CA2 (0.47) | CA2HSD11B1CA1MMP1MMP2 | |
| SCHEMBL11309979 | 0.84 | CA2 (0.81) | CA2GSTP1MMP1MMP8MMP13 | |
| SCHEMBL7538187 | 0.83 | ALDH1A1 (0.56) | CA2CA1CA12CA9CA14 | |
| SCHEMBL20468019 | 0.83 | CA2 (0.50) | CA2HSD11B1CA1MMP1MMP2 | |
| SCHEMBL11134832 | 0.83 | ALDH1A1 (0.56) | CA2CA1CA12CA9CA14 | |
| SCHEMBL17603652 | 0.83 | ALDH1A1 (0.56) | CA2CA1CA12CA9CA14 | |
| SCHEMBL30426244 | 0.83 | ALDH1A1 (0.56) | CA2CA1CA12CA9CA14 | |
| SCHEMBL7537992 | 0.83 | ALDH1A1 (0.56) | CA2CA1CA12CA9CA14 | |
| SCHEMBL7541961 | 0.83 | ALDH1A1 (0.56) | CA2CA1CA12CA9CA14 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5652247-A | VASOPRESSIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 1997-07-29 | — | — | US | disclosed |
| US-5436254-A | Vaopressin antagonists | OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) | 1995-07-25 | — | — | US | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| EP-0382185-B1 | Carbostyril derivatives | OTSUKA PHARMA CO LTD (JP) | 1994-06-15 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| US-5225402-A | Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-06 | — | — | US | disclosed |