Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 4/20 | 0.33 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27632840 | 0.72 | CES1 (0.52) | CES1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11612919 | 0.70 | HDAC6 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11611989 | 0.69 | KMT2A (0.50) | CES1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11617983 | 0.68 | MTNR1A (0.37) | MTNR1AMTNR1BLMNAMAPTCYP1A2 | |
| SCHEMBL11615866 | 0.67 | PTGDR2 (0.45) | LMNAMAPTALDH1A1NPSR1 | |
| SCHEMBL11520551 | 0.64 | ALDH1A1 (0.49) | CES1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL30281332 | 0.64 | CES1 (0.45) | CES1HDAC3HDAC4HDAC1HDAC7 | |
| Benzene SCHEMBL30353855 | 0.64 | CES1 (0.43) | CES1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11617783 | 0.62 | HDAC3 (0.48) | CES1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28756279 | 0.62 | CCNC (0.55) | LMNAMAPTCYP1A2CYP2C9CYP2C19 |
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 |