Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | AKT1 | P31749 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6215597 | 0.80 | KCNH2 (0.53) | ALDH1A1HSD17B10HPGDAKT1CYP1A2 | |
| SCHEMBL29640159 | 0.77 | KCNH2 (0.52) | ALDH1A1HSD17B10HPGDAKT1CYP1A2 | |
| SCHEMBL6002678 | 0.75 | KCNH2 (0.43) | MAPK1 | |
| SCHEMBL6504563 | 0.74 | SIGMAR1 (0.54) | ALDH1A1CYP1A2CYP2D6CYP3A4TSHR | |
| SCHEMBL31707401 | 0.73 | SLC18A3 (0.50) | AKT1TSHR | |
| SCHEMBL1587507 | 0.73 | SLC18A3 (0.50) | AKT1TSHR | |
| Hydrochloric Acid SCHEMBL28998916 | 0.72 | SLC18A3 (0.49) | AKT1TSHR | |
| SCHEMBL2525874 | 0.72 | BACE1 (0.39) | ALDH1A1HSD17B10HPGDCYP1A2 | |
| SCHEMBL1993910 | 0.70 | KCNH2 (0.36) | AKT1 | |
| SCHEMBL6002104 | 0.69 | ALDH1A1 (0.38) | ALDH1A1HSD17B10HPGDCYP1A2CYP2D6 |
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-20050153998-A1 | Tetrahydroisoquinoline or isochroman compounds | ITO FUMITAKA (JP) | 2005-07-14 | — | — | US | disclosed |
| WO-2005016913-A1 | TETRAHYDROISOQUINOLINE OR ISOCHROMAN COMPOUNDS AS ORL-1 RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AND CNS DISORDERS | PFIZER JAPAN, INC. (JP) | 2005-02-24 | — | — | WO | 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-20050153998-A1 | Tetrahydroisoquinoline or isochroman compounds | OPRL1, NR1H3, HRH3 | ALDH1A1 1598/4885HSD17B10 1238/4885HPGD 2386/4885 |
“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.