Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 5/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.48 |
| ▸ | CES1 | P23141 | 4/20 | 0.42 |
| ▸ | KDM6B | O15054 | 1/20 | 0.41 |
| ▸ | KDM5C | P41229 | 1/20 | 0.41 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.41 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11611989 | 0.86 | KMT2A (0.50) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL27632840 | 0.73 | CES1 (0.52) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6601551 | 0.70 | LTA4H (0.45) | PPARGPPARANPC1ALDH1A1HPGD | |
| SCHEMBL11612919 | 0.69 | HDAC6 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11618777 | 0.68 | KMT2A (0.49) | NPC1ALDH1A1KMT2AHPGDMAPT | |
| SCHEMBL11612842 | 0.68 | KMT2A (0.52) | NPC1ALDH1A1KMT2AHPGDMAPT | |
| SCHEMBL11616704 | 0.67 | KMT2A (0.47) | PPARGNPC1ALDH1A1KMT2AHPGD | |
| SCHEMBL28756279 | 0.66 | CCNC (0.55) | ALDH1A1KMT2AHPGDMAPTPOLB | |
| SCHEMBL7365180 | 0.65 | HDAC1 (1.00) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11615915 | 0.65 | KMT2A (0.52) | NPC1ALDH1A1KMT2AHPGDMAPT |
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-4117145-A | DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-4117143-A | USED AS ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-4113957-A | DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-12 | — | — | US | disclosed |