Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.53 |
| ▸ | USP2 | O75604 | 10/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | TSHR | P16473 | 6/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.44 |
| ▸ | TP53 | P04637 | 6/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20224849 | 0.89 | USP2 (0.53) | CYP2D6USP2CYP3A4ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL17848669 | 0.87 | USP2 (0.51) | CYP2D6USP2CYP3A4ALDH1A1TSHR | |
| SCHEMBL20224854 | 0.83 | HTR3E (0.49) | CYP2D6USP2CYP3A4ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL17848707 | 0.81 | HTR3E (0.47) | CYP2D6USP2CYP3A4ALDH1A1TSHR | |
| SCHEMBL6012283 | 0.81 | USP2 (0.49) | CYP2D6USP2CYP3A4ALDH1A1TSHR | |
| SCHEMBL31525081 | 0.77 | CYP2D6 (0.38) | CYP2D6USP2CYP3A4ALDH1A1TSHR | |
| SCHEMBL19586874 | 0.77 | ADRB1 (0.53) | CYP2D6USP2CYP3A4ALDH1A1TSHR | |
| SCHEMBL217048 | 0.75 | HSD17B10 (0.51) | CYP2D6USP2CYP3A4ALDH1A1TSHR | |
| SCHEMBL7007725 | 0.73 | OPRL1 (0.53) | CYP2D6CYP3A4ALDH1A1TSHRCYP2C19 | |
| SCHEMBL746085 | 0.73 | SIGMAR1 (0.47) | CYP2D6USP2CYP3A4ALDH1A1TSHR |
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 | CYP2D6 188/4885USP2 4122/4885CYP3A4 386/4885 |
“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.