Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3B | O95264 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.48 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL830902 | 1.00 | HTR3B (0.48) | HTR3BADRA2AKCNE1ADRA2CCHRM3 | |
| SCHEMBL829382 | 0.92 | HTR3B (0.50) | HTR3BADRA2AKCNE1ADRA2CCHRM3 | |
| SCHEMBL3588169 | 0.91 | CYP2A6 (0.42) | HTR3BADRA2AKCNE1ADRA2CCHRM3 | |
| SCHEMBL3586036 | 0.86 | HTR3B (0.48) | HTR3BADRA2AKCNE1ADRA2CCHRM3 | |
| SCHEMBL11524815 | 0.81 | HTR3B (0.47) | HTR3BADRA2AKCNE1ADRA2CCHRM3 | |
| SCHEMBL718791 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL30739530 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL829452 | 0.79 | TSHR (0.43) | HTR3BADRA2AKCNE1ADRA2CCHRM3 | |
| SCHEMBL6854090 | 0.76 | PARP1 (0.56) | HTR3BADRA2AKCNE1ADRA2CCHRM3 | |
| SCHEMBL7878541 | 0.76 | HPGD (0.51) | HTR3BADRA2AKCNE1ADRA2CCHRM3 |
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-6642247-B2 | Treting anxiety, stress, depression, trauma, Alzheimer's mediated memory loss, epilepsy, arterial blood pressure disorders, obesity, acute pain, chronic pain, Na+ excretion, control of water balance, and symptoms associated with drug | HOFFMAN-LA ROCHE INC. | 2003-11-04 | — | — | US | disclosed |
| US-20030176701-A1 | DI-OR TRIAZA-SPIRO [4,5] DECANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-18 | — | — | US | disclosed |
| EP-0963985-B1 | Di-or triaza-spiro(4,5)decane derivatives | HOFFMANN LA ROCHE (CH) | 2003-03-12 | — | — | EP | disclosed |
| EP-0963985-A2 | Di-or triaza-spiro(4,5)decane derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1999-12-15 | — | — | EP | 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-20030176701-A1 | DI-OR TRIAZA-SPIRO [4,5] DECANE DERIVATIVES | NPY4R, NPY1R, OXER1 | HTR3B 624/4885ADRA2A 49/4885KCNE1 774/4885 |
“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.