Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.37 |
| ▸ | SYK | P43405 | 2/20 | 0.37 |
| ▸ | VCP | P55072 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6067979 | 0.87 | SMPD3 (0.58) | SMPD3PDPK1LOXL2CYP2A6ESR1 | |
| SCHEMBL753260 | 0.73 | PDPK1 (0.60) | SMPD3PDPK1HSD17B1HSD17B2LOXL2 | |
| SCHEMBL31609722 | 0.73 | PDPK1 (0.60) | SMPD3PDPK1HSD17B1HSD17B2LOXL2 | |
| SCHEMBL173979 | 0.73 | PDPK1 (0.60) | PDPK1LOXL2CYP2A6CYP1A1CYP1A2 | |
| SCHEMBL252833 | 0.73 | CYP2A6 (0.53) | SMPD3PDPK1LOXL2CYP2A6CYP1A1 | |
| SCHEMBL15668605 | 0.71 | CYP1A1 (0.47) | SMPD3PDPK1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL4589649 | 0.71 | PDPK1 (0.63) | SMPD3PDPK1LOXL2CYP2A6CYP1A1 | |
| SCHEMBL466426 | 0.71 | PDPK1 (0.63) | SMPD3PDPK1LOXL2CYP2A6ESR1 | |
| Ammonia Solution, Strong SCHEMBL29239355 | 0.69 | PDPK1 (0.61) | SMPD3PDPK1LOXL2CYP2A6ESR1 | |
| SCHEMBL15668645 | 0.69 | CYP1A1 (0.44) | SMPD3PDPK1CYP1A1CYP1A2CYP1B1 |
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-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME LLC | 2012-12-27 | — | — | US | disclosed |
| US-5576338-A | ANTIALLERGENS, ANTIHISTAMINES, ANTIINFLAMMATORY AGENTS AND CYTOPROTECTIVE AGENTS FOR CARDIOVASCULAR DISORDERS | MERCK FROSST CANADA, INC. (CA) | 1996-11-19 | — | — | 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-20120328691-A1 | ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF | MAPK15, CDK15, MAPKAPK5 | SMPD3 3384/4885PDPK1 193/4885CA12 3583/4885 |
“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.