Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 8/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3775933 | 0.86 | CYP17A1 (0.50) | CYP17A1 | |
| SCHEMBL12315329 | 0.77 | HDAC1 (0.49) | HDAC1ROCK2ROCK1CYP17A1DRD2 | |
| SCHEMBL7833832 | 0.75 | CYP11B2 (0.56) | HDAC1ROCK2ROCK1DRD2DRD3 | |
| SCHEMBL3783199 | 0.75 | HDAC1 (0.52) | HDAC1ROCK2ROCK1CYP17A1DRD2 | |
| SCHEMBL7835172 | 0.74 | HDAC1 (0.63) | HDAC1ROCK2ROCK1DRD2DRD3 | |
| SCHEMBL3787527 | 0.73 | CYP17A1 (0.62) | HDAC1ROCK2ROCK1CYP17A1DRD2 | |
| SCHEMBL12315243 | 0.71 | HDAC1 (0.50) | HDAC1ROCK2ROCK1CYP17A1DRD2 | |
| SCHEMBL27897063 | 0.71 | HDAC1 (0.52) | HDAC1ROCK2ROCK1CYP17A1DRD2 | |
| SCHEMBL3783789 | 0.70 | HDAC1 (0.49) | HDAC1ROCK2ROCK1CYP17A1DRD2 | |
| SCHEMBL7837571 | 0.70 | HDAC1 (0.64) | HDAC1ROCK2ROCK1DRD2DRD3 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE45173-E1 | Inhibitors of CYP 17 | NOVARTIS AG (CH) | 2014-09-30 | — | — | US | disclosed |
| US-RE45173-E1 | Inhibitors of CYP 17 | NOVARTIS AG (CH) | 2014-09-30 | — | — | US | disclosed |
| US-RE45173-E1 | Inhibitors of CYP 17 | NOVARTIS AG (CH) | 2014-09-30 | — | — | US | disclosed |
| US-20140228394-A1 | INHIBITORS OF CYP 17 | NOVARTIS AG (CH) | 2014-08-14 | — | — | US | disclosed |
| US-20140228394-A1 | INHIBITORS OF CYP 17 | NOVARTIS AG (CH) | 2014-08-14 | — | — | US | disclosed |
| US-20140228394-A1 | INHIBITORS OF CYP 17 | NOVARTIS AG (CH) | 2014-08-14 | — | — | US | disclosed |
| EP-2445903-B1 | 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 | NOVARTIS AG (CH) | 2014-03-26 | — | — | EP | disclosed |
| EP-2445903-B1 | 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 | NOVARTIS AG (CH) | 2014-03-26 | — | — | EP | disclosed |
| CN-102803250-A | 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 | NOVARTIS AG | 2012-11-28 | — | — | CN | disclosed |
| US-8263635-B2 | Inhibitors of CYP 17 | NOVARTIS AG (CH) | 2012-09-11 | — | — | US | disclosed |
| US-8263635-B2 | Inhibitors of CYP 17 | NOVARTIS AG (CH) | 2012-09-11 | — | — | US | disclosed |
| US-8263635-B2 | Inhibitors of CYP 17 | NOVARTIS AG (CH) | 2012-09-11 | — | — | US | disclosed |
| US-20100331326-A1 | Inhibitors of CYP 17 | NOVARTIS AG | 2010-12-30 | — | — | US | disclosed |
| US-20100331326-A1 | Inhibitors of CYP 17 | NOVARTIS AG | 2010-12-30 | — | — | US | disclosed |
| US-20100331326-A1 | Inhibitors of CYP 17 | NOVARTIS AG | 2010-12-30 | — | — | 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 (2 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-20100331326-A1 | Inhibitors of CYP 17 | CYP17A1, CYP21A2, CYP4A22 | HDAC1 1671/4885ROCK2 1066/4885ROCK1 782/4885 |
| US-20140228394-A1 | INHIBITORS OF CYP 17 | CYP17A1, CYP21A2, CYP4A22 | HDAC1 1671/4885ROCK2 1066/4885ROCK1 782/4885 |
“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.