Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL2128637 | 0.81 | CHEK2 (0.42) | CHEK2KCNH2PLAUSMN1; SMN2MAPT | |
| SCHEMBL29420091 | 0.78 | KCNH2 (0.46) | CHEK2KCNH2PLAUSMN1; SMN2MAPT | |
| SCHEMBL2130515 | 0.78 | S1PR3 (0.55) | — | |
| SCHEMBL23367841 | 0.77 | SMN1; SMN2 (0.60) | CHEK2SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL2468739 | 0.76 | KDM4E (0.55) | KCNH2SMN1; SMN2MAPTNPC1RAB9A | |
| SCHEMBL5537279 | 0.76 | ABL1 (0.61) | CHEK2SMN1; SMN2MAPTHSP90AA1PDK2 | |
| SCHEMBL5237642 | 0.75 | SRD5A2 (0.48) | SMN1; SMN2MAPTHSP90AA1PDK2MEN1 | |
| SCHEMBL7410067 | 0.75 | CHEK2 (0.49) | CHEK2SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL23367854 | 0.75 | GPBAR1 (0.55) | SMN1; SMN2MAPTHSP90AA1MEN1KMT2A | |
| SCHEMBL5342821 | 0.73 | GPR52 (0.47) | SMN1; SMN2MAPTMEN1KMT2ANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1781661-B1 | VASOPRESSIN V1A ANTAGONISTS | VANTIA LTD (GB) | 2017-06-07 | — | — | EP | claimed |