Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27558112 | 0.88 | CHRNB2 (0.56) | ALDH1A1HPGDMAPTCHRNB2CHRNB4 | |
| SCHEMBL12835337 | 0.86 | ALDH1A1 (0.55) | ALDH1A1HPGDMAPTCHRNB2CHRNB4 | |
| SCHEMBL12173013 | 0.85 | ALDH1A1 (0.54) | ALDH1A1HPGDMAPTCHRNB2CHRNB4 | |
| SCHEMBL5582815 | 0.84 | ALDH1A1 (0.60) | ALDH1A1HPGDMAPTCHRNB2CHRNB4 | |
| SCHEMBL5700875 | 0.84 | ALDH1A1 (0.52) | ALDH1A1HPGDMAPTCHRNB2CHRNB4 | |
| SCHEMBL9268753 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPTCHRNB2CHRNB4 | |
| SCHEMBL10685331 | 0.81 | ALDH1A1 (0.57) | ALDH1A1HPGDMAPTCHRNB2CHRNB4 | |
| SCHEMBL7296240 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPTCHRNB2CHRNB4 | |
| SCHEMBL19918329 | 0.81 | ALDH1A1 (0.57) | ALDH1A1HPGDMAPTCHRNB2CHRNB4 | |
| SCHEMBL7300187 | 0.79 | ALOX15 (0.50) | ALDH1A1HPGDMAPTMAPK1KMT2A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7101909-B2 | Compound of a ligand of 2-methoxy methylester-6-fluoronaphthalene, an aryl ligand and a linker; each ligand domain capable of binding to a Ca++ channel | THERAVANCE, INC. (US) | 2006-09-05 | — | — | US | disclosed |
| US-6897305-B2 | Calcium channel drugs and uses | THERAVANCE, INC. (US) | 2005-05-24 | — | — | US | disclosed |
| US-20040242561-A1 | Novel calcium channel drugs and uses | THERAVANCE BIOPHARMA R&D IP, LLC | 2004-12-02 | — | — | US | disclosed |
| US-20030073127-A1 | NOVEL CALCIUM CHANNEL DRUGS AND USES | THERAVANCE BIOPHARMA R&D IP, LLC | 2003-04-17 | — | — | US | disclosed |
| US-20030044845-A1 | Novel therapeutic agents for membrane transporters | THERAVANCE BIOPHARMA R&D IP, LLC | 2003-03-06 | — | — | US | disclosed |
| WO-1999063992-A9 | NOVEL CALCIUM CHANNEL DRUGS AND USES | ADVANCED MEDICINE INC (US) | 2002-08-22 | — | — | WO | disclosed |
| WO-1999064045-A9 | NOVEL THERAPEUTIC AGENTS FOR MEMBRANE TRANSPORTERS | ADVANCED MEDICINE INC (US) | 2001-07-05 | — | — | WO | disclosed |
| EP-1085863-A1 | CROSS-REFERENCE TO RELATED APPLICATIONS | Advanced Medicine, Inc. (US) | 2001-03-28 | — | — | EP | disclosed |
| EP-1085863-A4 | CROSS-REFERENCE TO RELATED APPLICATIONS | ADVANCED MEDICINE INC (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999063992-A1 | NOVEL CALCIUM CHANNEL DRUGS AND USES | ADVANCED MEDICINE, INC. (US) | 1999-12-16 | — | — | 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 (3 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-20030073127-A1 | NOVEL CALCIUM CHANNEL DRUGS AND USES | CACNB2, CACNA1B, CACNA1F | ALDH1A1 3629/4885HPGD 2726/4885MAPT 2363/4885 |
| US-20030044845-A1 | Novel therapeutic agents for membrane transporters | SLC47A2, SLC8B1, SLC47A1 | ALDH1A1 2627/4885HPGD 2570/4885MAPT 2064/4885 |
| US-20040242561-A1 | Novel calcium channel drugs and uses | CACNB2, CACNA1B, CACNA1F | ALDH1A1 3629/4885HPGD 2726/4885MAPT 2363/4885 |
“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.