Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.52 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3818165 | 0.83 | MAPT (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL25339470 | 0.79 | HDAC1 (0.53) | HDAC1HDAC6HDAC8HDAC3HDAC2 | |
| SCHEMBL3436865 | 0.79 | HDAC3 (0.61) | HDAC1HDAC6HDAC8HDAC3HDAC2 | |
| SCHEMBL2895782 | 0.78 | HDAC1 (0.64) | HDAC1HDAC6HDAC8HDAC3HDAC2 | |
| SCHEMBL27038851 | 0.77 | HDAC1 (0.52) | HDAC1HDAC6HDAC8HDAC3HDAC2 | |
| SCHEMBL722692 | 0.77 | HPGD (0.64) | HDAC1HDAC6HDAC8CYP1A2CYP3A4 | |
| SCHEMBL27187309 | 0.77 | HDAC3 (0.70) | HDAC1HDAC6HDAC8HDAC3HDAC2 | |
| SCHEMBL27187336 | 0.76 | HDAC3 (0.72) | HDAC1HDAC6HDAC8HDAC3HDAC2 | |
| SCHEMBL27187315 | 0.76 | HDAC3 (0.72) | HDAC1HDAC6HDAC8HDAC3HDAC2 | |
| SCHEMBL27187326 | 0.76 | HDAC3 (0.72) | HDAC1HDAC6HDAC8HDAC3HDAC2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3262035-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2018-01-03 | — | — | EP | disclosed |
| WO-2016135163-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2016-09-01 | — | — | WO | disclosed |
| US-7825256-B2 | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS, INC. (US) | 2010-11-02 | — | — | US | disclosed |
| EP-1817030-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | Kalypsys, Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006060424-A2 | INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS | KALYPSYS, INC. (US) | 2006-06-08 | — | — | WO | disclosed |
| US-20060116515-A1 | Inducible nitric oxide synthase dimerization inhibitors | KALYPSYS, INC. | 2006-06-01 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060116515-A1 | Inducible nitric oxide synthase dimerization inhibitors | NOS3, NOS2, NOS1 | HDAC1 2786/4885HDAC6 4033/4885HDAC8 1207/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.