Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9865647 | 0.85 | GAA (0.45) | KDM4EMAPTTP53POLBCYP2D6 | |
| SCHEMBL9868660 | 0.84 | TRPV1 (0.39) | TRPV1NPSR1KDM4EHSP90AA1MAPT | |
| SCHEMBL9867267 | 0.82 | LMNA (0.35) | KDM4EMAPTDAOTP53CYP2D6 | |
| SCHEMBL9876539 | 0.81 | CYP1A2 (0.38) | NPSR1DAOCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL9867335 | 0.81 | EPHX2 (0.35) | DAOALDH1A1LMNA | |
| SCHEMBL9868517 | 0.80 | KMT2A (0.42) | NPSR1MAPTPOLBCYP2D6CYP1A2 | |
| SCHEMBL9866034 | 0.80 | ALDH1A1 (0.45) | KDM4EMAPTPOLBHTTMEN1 | |
| SCHEMBL9866537 | 0.78 | SCN5A (0.39) | TRPV1NPSR1KDM4EHSP90AA1MAPT | |
| SCHEMBL9866527 | 0.78 | SCN5A (0.39) | TRPV1NPSR1KDM4EHSP90AA1MAPT | |
| SCHEMBL9866540 | 0.78 | TRPV1 (0.41) | TRPV1NPSR1KDM4EHSP90AA1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5021431-A | H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion | HEUMANN PHARMA GMBH & CO. (DE) | 1991-06-04 | — | — | US | disclosed |
| EP-0199845-B1 | IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HEUMANN PHARMA GMBH & CO (DE) | 1990-08-01 | — | — | EP | disclosed |
| EP-0199845-A1 | Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them | HEUMANN PHARMA GMBH & CO (DE) | 1986-11-05 | — | — | EP | disclosed |