Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.75 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | CNR1 | P21554 | 2/20 | 0.51 |
| ▸ | CNR2 | P34972 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8278411 | 0.91 | ALDH1A1 (0.73) | ALDH1A1NPC1RAB9ATDP1GAA | |
| SCHEMBL10293101 | 0.89 | ALDH1A1 (0.62) | ALDH1A1NPC1RAB9ATDP1GAA | |
| SCHEMBL8277015 | 0.89 | GAA (0.74) | ALDH1A1NPC1RAB9ATDP1GAA | |
| SCHEMBL8277025 | 0.87 | TDP1 (0.61) | ALDH1A1NPC1RAB9ATDP1GAA | |
| SCHEMBL8276951 | 0.86 | NPC1 (0.64) | ALDH1A1NPC1RAB9ATDP1GAA | |
| SCHEMBL26603347 | 0.78 | ALDH1A1 (0.81) | ALDH1A1NPC1RAB9AGAAHPGD | |
| SCHEMBL10293143 | 0.77 | TDP1 (0.60) | ALDH1A1NPC1RAB9ATDP1GAA | |
| SCHEMBL1155893 | 0.77 | TDP1 (0.71) | ALDH1A1NPC1RAB9ATDP1GAA | |
| SCHEMBL12878913 | 0.77 | TDP1 (0.71) | ALDH1A1NPC1RAB9ATDP1GAA | |
| SCHEMBL1158863 | 0.77 | TDP1 (0.71) | ALDH1A1NPC1RAB9ATDP1GAA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8211935-B2 | Heterocyclic derivatives for modulation of calcium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-03 | — | — | US | disclosed |
| 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 |
| US-7888384-B2 | Heterocyclic derivatives for modulation of calcium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-02-15 | — | — | US | disclosed |
| US-20090253682-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-10-08 | — | — | US | disclosed |
| US-20090253682-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-10-08 | — | — | US | disclosed |
| US-7569604-B2 | Heterocyclic derivatives for modulation of calcium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-08-04 | — | — | US | disclosed |
| US-7569604-B2 | Heterocyclic derivatives for modulation of calcium channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-08-04 | — | — | 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-20090253682-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | CACNA1D, ORAI1, CACNA1C | ALDH1A1 3826/4885NPC1 1567/4885RAB9A 1541/4885 |
| US-20110178061-A1 | HETEROCYCLIC DERIVATIVES FOR MODULATION OF CALCIUM CHANNELS | CACNA1D, ORAI1, CACNA1C | ALDH1A1 3826/4885NPC1 1567/4885RAB9A 1541/4885 |
“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.