Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.66 |
| ▸ | CA2 | P00918 | 1/20 | 0.66 |
| ▸ | MMP1 | P03956 | 1/20 | 0.66 |
| ▸ | MMP2 | P08253 | 1/20 | 0.66 |
| ▸ | MMP9 | P14780 | 1/20 | 0.66 |
| ▸ | MMP8 | P22894 | 1/20 | 0.66 |
| ▸ | MMP13 | P45452 | 1/20 | 0.66 |
| ▸ | F2 | P00734 | 3/20 | 0.64 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.64 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.64 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALKBH2 | Q6NS38 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2972420 | 1.00 | CA1 (0.66) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL2476076 | 0.85 | CA1 (0.68) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL2476078 | 0.85 | CA1 (0.68) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL16549667 | 0.84 | THRB (0.73) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL6848738 | 0.83 | CA1 (0.60) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL17943495 | 0.81 | CA1 (0.62) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL4176342 | 0.80 | CA1 (0.60) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL30732635 | 0.80 | CA1 (0.69) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL648427 | 0.80 | CA1 (0.69) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL8224048 | 0.80 | CA1 (1.00) | CA1CA2MMP1MMP2MMP9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2838519-A2 | METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS | University College Dublin National University Of Ireland, Dublin (IE) | 2015-02-25 | — | — | EP | disclosed |
| EP-2838520-A2 | THROMBOXANE RECEPTOR ANTAGONISTS | University College Dublin National University Of Ireland, Dublin (IE) | 2015-02-25 | — | — | EP | disclosed |
| WO-2013156871-A9 | THROMBOXANE RECEPTOR ANTAGONISTS | UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) | 2015-01-08 | — | — | WO | disclosed |
| WO-2013156871-A2 | THROMBOXANE RECEPTOR ANTAGONISTS | UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) | 2013-10-24 | — | — | WO | disclosed |
| WO-2013156861-A2 | METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS AND VIRAL INFECTIONS | UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) | 2013-10-24 | — | — | WO | disclosed |