Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.50 |
| ▸ | RAB9A | P51151 | 9/20 | 0.50 |
| ▸ | GAA | P10253 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | GFER | P55789 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4902096 | 0.92 | NOTUM (0.43) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL4906887 | 0.77 | MAPKAPK2 (0.54) | RAB9AGAAKDM4EALDH1A1LMNA | |
| SCHEMBL4598968 | 0.77 | RPS6KB1 (0.43) | CHEK1DAPK3ROCK2CHEK2PRKACA | |
| SCHEMBL4905587 | 0.77 | ROCK1 (0.48) | CHEK1DAPK3ROCK2CHEK2PRKACA | |
| SCHEMBL4917069 | 0.75 | EGFR (0.50) | KDM4ELMNAALOX15KMT2AMAPT | |
| SCHEMBL4908137 | 0.75 | ROCK1 (0.52) | CHEK1DAPK3ROCK2CHEK2PRKACA | |
| SCHEMBL4597203 | 0.75 | KMT2A (0.46) | NPC1RAB9AALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL4597033 | 0.74 | KDR (0.52) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL4596911 | 0.74 | NAMPT (0.47) | RAB9AMAPTTP53CHEK1DAPK3 | |
| SCHEMBL4916629 | 0.74 | EGFR (0.49) | KDM4ELMNAALOX15KMT2AMAPT |
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-20080234266-A1 | Squaric Acid Derivatives II | MERCK PATENT GESELLSCHAFT (DE) | 2008-09-25 | — | — | US | claimed |
| US-20080234266-A1 | Squaric Acid Derivatives II | MERCK PATENT GESELLSCHAFT (DE) | 2008-09-25 | — | — | US | disclosed |
| US-20080234266-A1 | Squaric Acid Derivatives II | MERCK PATENT GESELLSCHAFT (DE) | 2008-09-25 | — | — | US | disclosed |
| US-20080234266-A1 | Squaric Acid Derivatives II | MERCK PATENT GESELLSCHAFT (DE) | 2008-09-25 | — | — | US | disclosed |
| WO-2007014608-A1 | QUADRATIC ACID II DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-02-08 | — | — | 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-20080234266-A1 | Squaric Acid Derivatives II | CHEK2, CHEK1, SGK3 | NPC1 4153/4885RAB9A 3176/4885GAA 1993/4885 |
“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.