Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3362013 | 0.90 | CA12 (0.71) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL27947100 | 0.86 | SMN1; SMN2 (0.63) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL3238863 | 0.82 | CA1 (0.81) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL29710882 | 0.82 | CA1 (0.81) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL5187476 | 0.82 | CA12 (0.57) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL514685 | 0.82 | PNMT (0.58) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL1818808 | 0.79 | MAPT (0.41) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL19778192 | 0.79 | CA12 (0.54) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL3231041 | 0.78 | CA12 (0.53) | CA12CA1CA2CA9DRD2 | |
| SCHEMBL3237871 | 0.78 | PNMT (0.61) | CA12CA1CA2CA9DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110178061-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-21 | — | — | US | disclosed |
| US-7888384-B2 | Heterocyclic derivatives for modulation of calcium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-15 | — | — | US | disclosed |
| EP-0409949-B1 | ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | ICI PLC (GB) | 1994-05-18 | — | — | EP | disclosed |
| US-5185452-A | Antidiabetic agents; aldose reductase inhibitor | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-02-09 | — | — | US | disclosed |
| EP-0409949-A1 | ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS. | ICI PLC (GB) | 1991-01-30 | — | — | EP | disclosed |
| WO-1990008763-A1 | ARYLSULPHONYL-NITROMETHANES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-08-09 | — | — | WO | 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-20110178061-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | CACNA1D, ORAI1, CACNA1C | CA12 2457/4885CA1 228/4885CA2 95/4885 |
“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.