Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | 0.76 | KMT2A (0.50) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28328928 | 0.76 | ESR1 (0.47) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11615866 | 0.73 | PTGDR2 (0.45) | SMN1; SMN2HPGDALDH1A1POLBTSHR | |
| SCHEMBL11614960 | 0.73 | MAPT (0.42) | SMN1; SMN2ALDH1A1KMT2ATSHRTDP1 | |
| SCHEMBL11613046 | 0.72 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL11611124 | 0.72 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL11618645 | 0.71 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL11614501 | 0.70 | CES1 (0.38) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11614849 | 0.69 | NPSR1 (0.49) | NPC1RAB9ACYP2C19ALDH1A1KMT2A | |
| SCHEMBL11617783 | 0.69 | HDAC3 (0.48) | HDAC6HDAC3HDAC4HDAC1HDAC7 |
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 |