Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.58 |
| ▸ | AGTR1 | P30556 | 7/20 | 0.56 |
| ▸ | AGTR2 | P50052 | 7/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12929645 | 0.90 | NPSR1 (0.60) | ALDH1A1KDM4ENPSR1RAB9AMAPT | |
| SCHEMBL12929381 | 0.88 | NPSR1 (0.58) | ALDH1A1KDM4ENPSR1RAB9AMAPT | |
| SCHEMBL12929613 | 0.88 | NPSR1 (0.57) | ALDH1A1KDM4ENPSR1RAB9AMAPT | |
| SCHEMBL11164512 | 0.87 | NPSR1 (0.67) | ALDH1A1KDM4ENPSR1RAB9AMAPT | |
| SCHEMBL12929619 | 0.85 | ALDH1A1 (0.71) | ALDH1A1KDM4ENPSR1RAB9AMAPT | |
| SCHEMBL12929697 | 0.83 | CDC7 (0.61) | ALDH1A1KDM4ENPSR1RAB9AMAPT | |
| SCHEMBL12929397 | 0.81 | ADORA3 (0.67) | ALDH1A1NPSR1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL12929526 | 0.81 | NPSR1 (0.57) | ALDH1A1KDM4ENPSR1RAB9AMAPT | |
| SCHEMBL34462345 | 0.81 | NPSR1 (0.65) | ALDH1A1KDM4ENPSR1RAB9AMAPT | |
| SCHEMBL11159729 | 0.79 | ALDH1A1 (0.66) | ALDH1A1KDM4ENPSR1RAB9AMAPT |
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 2361/4885KDM4E 1948/4885NPSR1 2654/4885 |
“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.