Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 5/20 | 0.86 |
| ▸ | BPTF | Q12830 | 3/20 | 0.50 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.48 |
| ▸ | NOS3 | P29474 | 3/20 | 0.44 |
| ▸ | NOS1 | P29475 | 3/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | ICMT | O60725 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7252900 | 0.93 | HTR1D (1.00) | HTR1DGRM2HTR2AHTR2CCYP11B1 | |
| SCHEMBL7252987 | 0.83 | HTR1D (0.78) | HTR1DGRM2CYP11B1CYP11B2HTR6 | |
| SCHEMBL7252785 | 0.79 | HTR1D (0.67) | HTR1DGRM2HTR2AHTR2CCYP11B1 | |
| SCHEMBL7252780 | 0.79 | HTR1D (0.67) | HTR1DGRM2HTR2AHTR2CCYP11B1 | |
| SCHEMBL7253103 | 0.76 | HTR1D (0.67) | HTR1DGRM2CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL7258177 | 0.75 | NOS3 (0.58) | HTR1DBPTFNOS3NOS1HTR2A | |
| SCHEMBL7253554 | 0.72 | HTR2A (0.54) | HTR1DBPTFNOS3NOS1HTR2A | |
| SCHEMBL7253409 | 0.72 | HTR6 (0.59) | HTR1DGRM2CYP11B1CYP11B2HTR6 | |
| SCHEMBL7253026 | 0.72 | HTR6 (0.59) | HTR1DGRM2CYP11B1CYP11B2HTR6 | |
| SCHEMBL7253030 | 0.72 | HTR6 (0.59) | HTR1DGRM2CYP11B1CYP11B2HTR6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020169322-A1 | Use of N-alkylamino-heterocylic compounds for the treatment of migraine | NPS ALLEXLIX CORP. | 2002-11-14 | — | — | US | claimed |
| US-6635639-B2 | Treatment or diagnosis of central nervous system conditions | NPS ALLELIX CORP. (CA) | 2003-10-21 | — | — | US | disclosed |
| US-20020169322-A1 | Use of N-alkylamino-heterocylic compounds for the treatment of migraine | NPS ALLEXLIX CORP. | 2002-11-14 | — | — | US | disclosed |
| US-6380242-B1 | FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS | NPS ALLELIX CORP. (CA) | 2002-04-30 | — | — | 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-20020169322-A1 | Use of N-alkylamino-heterocylic compounds for the treatment of migraine | CNR1, CNR2, KCNH1 | HTR1D 128/4885BPTF 4412/4885GRM2 619/4885 |
“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.