Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15348021 | 0.87 | HDAC3 (0.37) | CYP3A4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11493479 | 0.85 | HDAC3 (0.36) | CYP3A4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL462082 | 0.84 | CYP3A4 (0.46) | CYP3A4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29082944 | 0.84 | CYP3A4 (0.46) | CYP3A4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9603599 | 0.84 | HDAC3 (0.35) | CYP3A4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11493591 | 0.82 | HDAC3 (0.40) | CYP3A4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL29472099 | 0.81 | CYP3A4 (0.39) | CYP3A4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5139880 | 0.81 | — | — | |
| SCHEMBL10774202 | 0.81 | HDAC3 (0.40) | CYP3A4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5519257 | 0.80 | CYP3A4 (0.42) | CYP3A4HDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| JP-8059631-A | — | — | None | — | — | JP | disclosed |
| JP-H0859631-A | PRODUCTION OF 1,4-DIALKYL-2,3-PIPERAZINEDIONES | MITSUI TOATSU CHEM INC | 1996-03-05 | — | — | JP | disclosed |
| US-5002701-A | Iodine and Halide Complex of a Pyrazinedicarboxylic Acid | RESEARCH FRONTIERS INCORPORATED (US) | 1991-03-26 | — | — | US | disclosed |