Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | SLC1A2 | P43004 | 4/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 4/20 | 0.50 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | GCLC | P48506 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL28143162 | 0.88 | CA2 (0.64) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL6114 | 0.88 | — | — | |
| 2-Ethylhexanoic Acid SCHEMBL9118765 | 0.87 | CA2 (0.83) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL97792 | 0.85 | — | — | |
| SCHEMBL2355348 | 0.85 | — | — | |
| SCHEMBL8573707 | 0.85 | — | — | |
| SCHEMBL1506860 | 0.85 | — | — | |
| SCHEMBL8387892 | 0.85 | — | — | |
| SCHEMBL4858248 | 0.85 | — | — | |
| SCHEMBL3343234 | 0.85 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6960599-B2 | Heterocyclic aminoalkylpyridine derivatives as psychopharmaceuticals | MERCK PATENT GMBH (DE) | 2005-11-01 | — | — | US | disclosed |
| US-20040019044-A1 | Heterocyclic aminoalkyl pyridine derivatives as psychopharmaceuticals | MERCK PATENT GMBH (DE) | 2004-01-29 | — | — | 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-20040019044-A1 | Heterocyclic aminoalkyl pyridine derivatives as psychopharmaceuticals | HTR4, CNR1, CNR2 | CA2 1179/4885MAPK1 2714/4885SLC1A2 266/4885 |
“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.