Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.65 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | FOS | P01100 | 4/20 | 0.53 |
| ▸ | JUN | P05412 | 4/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.53 |
| ▸ | RELA | Q04206 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12929721 | 0.90 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL12929634 | 0.90 | ALDH1A1 (0.80) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL12929583 | 0.89 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL12929724 | 0.83 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL11785304 | 0.82 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL12929723 | 0.81 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL12929612 | 0.80 | ALDH1A1 (0.80) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL12929598 | 0.80 | ALDH1A1 (0.80) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL12929579 | 0.80 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 | |
| SCHEMBL12929679 | 0.80 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2MAPTLMNAMAPK1 |
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-8324220-B2 | Pyrimidines useful as modulators of voltage-gated ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-04 | — | — | US | disclosed |
| US-8324220-B2 | Pyrimidines useful as modulators of voltage-gated ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-04 | — | — | US | disclosed |
| US-20110003814-A1 | PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110003814-A1 | PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-01-06 | — | — | US | disclosed |
| US-7816529-B2 | Pyrimidines useful as modulators of voltage-gated ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-19 | — | — | US | disclosed |
| US-7816529-B2 | Pyrimidines useful as modulators of voltage-gated ion channels | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-19 | — | — | 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 (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-20110003814-A1 | PYRIMIDINES USEFUL AS MODULATORS OF VOLTAGE-GATED ION CHANNELS | KCNJ1, KCNJ11, TRPV1 | ALDH1A1 2361/4885SMN1; SMN2 1190/4885MAPT 2103/4885 |
“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.