Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.61 |
| ▸ | RAB9A | P51151 | 9/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3631758 | 0.88 | NPC1 (0.63) | NPC1RAB9ACA2KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3625741 | 0.88 | NPC1 (0.63) | NPC1RAB9ACA2KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3627750 | 0.88 | NPC1 (0.52) | NPC1RAB9ACA2KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4921697 | 0.87 | NPC1 (0.82) | NPC1RAB9ACA2KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4927459 | 0.87 | NPC1 (0.74) | NPC1RAB9ACA2KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3625608 | 0.87 | NPC1 (0.74) | NPC1RAB9ACA2KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3631429 | 0.87 | NPC1 (0.61) | NPC1RAB9ACA2KDM4EALDH1A1 | |
| SCHEMBL1423309 | 0.86 | NPC1 (0.71) | NPC1RAB9ACA2KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4928304 | 0.85 | NPC1 (0.58) | NPC1RAB9ACA2KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3633881 | 0.85 | NPC1 (0.66) | NPC1RAB9ACA2KDM4EALDH1A1 |
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-20080312244-A1 | Squaric Acid Derivatives as Protein Kinase Inhibitors | MERCK PATENT GMBH (DE) | 2008-12-18 | — | — | US | claimed |
| CN-101715449-A | Heterocyclic compounds and their methods of use | ABBOTT LAB | 2010-05-26 | — | — | CN | disclosed |
| EP-2146985-A1 | HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE | Abbott Laboratories (US) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008127464-A1 | HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE | ABBOTT LABORATORIES (US) | 2008-10-23 | — | — | WO | disclosed |
| US-20080255203-A1 | HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE | ABBOTT LABORATORIES (US) | 2008-10-16 | — | — | 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 (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-20080312244-A1 | Squaric Acid Derivatives as Protein Kinase Inhibitors | CHEK1, CHEK2, SIK1 | NPC1 4183/4885RAB9A 3246/4885CA2 1587/4885 |
| US-20080255203-A1 | HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE | CYP11B2, AADAC, CYP11B1 | NPC1 473/4885RAB9A 3859/4885CA2 1952/4885 |
“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.