Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.56 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CTSL | P07711 | 3/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7147621 | 0.83 | HDAC3 (0.45) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9130527 | 0.80 | AAK1 (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9130537 | 0.80 | AAK1 (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7408127 | 0.78 | KMT2A (0.61) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7735579 | 0.78 | CYP1A2 (0.44) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6063677 | 0.77 | ALOX12 (0.46) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL7723266 | 0.77 | HDAC3 (0.49) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8084008 | 0.76 | HDAC1 (0.76) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL13536987 | 0.74 | CTSL (0.54) | CTSLCTSB | |
| SCHEMBL14345841 | 0.73 | HDAC1 (0.74) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6436980-B1 | TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES | ESSENTIAL THERAPEUTICS, INC. | 2002-08-20 | — | — | US | disclosed |
| US-6204279-B1 | SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES | MICROCIDE PHARMACEUTICALS, INC. | 2001-03-20 | — | — | US | disclosed |