Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 2/20 | 0.35 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6918947 | 0.79 | CYP19A1 (0.40) | SMN1; SMN2NPC1RAB9AHSD17B10CYP2D6 | |
| SCHEMBL9609072 | 0.75 | TTBK1 (0.45) | SMN1; SMN2NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL10692851 | 0.75 | LTA4H (0.46) | RAB9ACYP2D6THRATHRBCYP3A4 | |
| SCHEMBL6918499 | 0.75 | SMN1; SMN2 (0.36) | SMN1; SMN2NPC1RAB9AHSD17B10CYP2D6 | |
| SCHEMBL8405077 | 0.75 | NPC1 (0.44) | SMN1; SMN2NPC1RAB9AHSD17B10CYP2D6 | |
| SCHEMBL9683985 | 0.75 | NPC1 (0.44) | SMN1; SMN2NPC1RAB9AHSD17B10CYP2D6 | |
| SCHEMBL6919616 | 0.74 | LTA4H (0.42) | SMN1; SMN2CYP2D6THRATHRBLMNA | |
| SCHEMBL12495916 | 0.71 | ALDH1A1 (0.39) | SMN1; SMN2NPC1RAB9AENPP1ALDH1A1 | |
| SCHEMBL28049940 | 0.70 | ENPP1 (0.50) | SMN1; SMN2NPC1RAB9AHSD17B10CYP2D6 | |
| SCHEMBL11233036 | 0.70 | L3MBTL1 (0.54) | SMN1; SMN2NPC1RAB9AHSD17B10CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2462123-B1 | 4,5,6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | MERCK SHARP & DOHME (US) | 2013-10-02 | — | — | EP | disclosed |
| US-20120136016-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | MERCK SHARP & DOHME LLC | 2012-05-31 | — | — | US | disclosed |
| WO-2011017296-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | SCHERING CORPORATION (US) | 2011-02-10 | — | — | 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 (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-20120136016-A1 | 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS | F9, F8, F12 | SMN1; SMN2 3437/4885NPC1 1342/4885RAB9A 987/4885 |
“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.