Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | C1R | P00736 | 1/20 | 0.33 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL489291 | 0.89 | LMNA (0.49) | LMNAGAACA1CA2CA4 | |
| SCHEMBL10530946 | 0.89 | LMNA (0.49) | LMNAGAACA1CA2CA4 | |
| SCHEMBL29816630 | 0.70 | LMNA (0.49) | LMNAGAATDP1KMT2ABCAT1 | |
| SCHEMBL8096686 | 0.70 | LMNA (0.49) | LMNAGAAKMT2APOLBBCAT1 | |
| SCHEMBL28820232 | 0.69 | CA1 (0.55) | LMNAGAACA1CA2KMT2A | |
| SCHEMBL25317412 | 0.69 | LMNA (0.44) | LMNAGAAKMT2APOLB | |
| SCHEMBL29716820 | 0.69 | GAA (0.44) | LMNAGAACA1CA2CA4 | |
| SCHEMBL19551921 | 0.69 | LMNA (0.44) | LMNAGAACA1CA2CA4 | |
| SCHEMBL29718844 | 0.69 | LMNA (0.44) | LMNAGAACA1CA2CA4 | |
| SCHEMBL25920057 | 0.69 | LMNA (0.44) | LMNAGAAKMT2APOLB |
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-2451782-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | Theravance, Inc. (US) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011005674-A1 | DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2011-01-13 | — | — | WO | disclosed |