Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GLS | O94925 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5398170 | 1.00 | ALDH1A1 (0.51) | ALDH1A1CA12CA9LTA4HMAPK1 | |
| SCHEMBL18756303 | 0.86 | LTA4H (0.51) | ALDH1A1CA12CA9LTA4HMAPK1 | |
| SCHEMBL14910316 | 0.83 | KMT2A (0.49) | ALDH1A1CA12CA9LTA4HMAPK1 | |
| SCHEMBL3384205 | 0.83 | KMT2A (0.49) | ALDH1A1CA12CA9LTA4HMAPK1 | |
| SCHEMBL14185997 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CA12CA9LTA4HMAPK1 | |
| SCHEMBL14186000 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CA12CA9LTA4HMAPK1 | |
| SCHEMBL19941283 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CA12CA9LTA4HMAPK1 | |
| SCHEMBL14909398 | 0.80 | LTA4H (0.49) | ALDH1A1CA12CA9LTA4HMAPK1 | |
| SCHEMBL14909397 | 0.80 | LTA4H (0.49) | ALDH1A1CA12CA9LTA4HMAPK1 | |
| SCHEMBL6153732 | 0.79 | MAPK1 (0.58) | ALDH1A1CA12CA9MAPK1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7183323-B2 | Diaromatic compound containing 2-amine groups, useful for treating neuropathic pain | THERAVANCE, INC. (US) | 2007-02-27 | — | — | US | disclosed |
| US-20040204460-A1 | Sodium channel modulators | THERAVANCE BIOPHARMA R&D IP, LLC | 2004-10-14 | — | — | US | disclosed |
| US-6756400-B2 | Sodium channel modulators | THERAVANCE, INC. | 2004-06-29 | — | — | US | disclosed |
| US-20030027822-A1 | Sodium channel modulators | THERAVANCE BIOPHARMA R&D IP, LLC | 2003-02-06 | — | — | US | disclosed |
| WO-2002018334-A2 | SODIUM CHANNEL MODULATORS | THERAVANCE, INC. (US) | 2002-03-07 | — | — | 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 (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-20040204460-A1 | Sodium channel modulators | SCN1A, SCN1B, CACNA1A | ALDH1A1 2680/4885CA12 3794/4885CA9 2218/4885 |
| US-20030027822-A1 | Sodium channel modulators | SCN1A, SCN1B, CACNA1A | ALDH1A1 2680/4885CA12 3794/4885CA9 2218/4885 |
“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.