Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | MTOR | P42345 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6215031 | 0.86 | SIGMAR1 (0.57) | SIGMAR1TSHRCYP3A4ALDH1A1CYP2C9 | |
| SCHEMBL30411839 | 0.82 | SIGMAR1 (0.47) | SIGMAR1TSHRCYP2C19CYP3A4TP53 | |
| SCHEMBL23595010 | 0.82 | SIGMAR1 (0.47) | SIGMAR1TSHRCYP2C19CYP3A4TP53 | |
| SCHEMBL6523543 | 0.82 | SIGMAR1 (0.41) | SIGMAR1TSHRCYP2C19CYP3A4TP53 | |
| SCHEMBL6422849 | 0.81 | SIGMAR1 (0.57) | SIGMAR1TSHRCYP2C19CYP3A4TP53 | |
| SCHEMBL31212132 | 0.78 | OTUD7B (0.40) | CYP2C19CYP3A4CYP1A2KMT2A | |
| SCHEMBL18181144 | 0.78 | OTUD7B (0.40) | CYP2C19CYP3A4CYP1A2KMT2A | |
| SCHEMBL10152976 | 0.77 | OTUD7B (0.42) | SIGMAR1DRD2NFKB1HTR2AHTR2C | |
| SCHEMBL2381131 | 0.77 | OPRL1 (0.57) | SIGMAR1TSHRCYP2C19CYP3A4TP53 | |
| SCHEMBL20608087 | 0.77 | OTUD7B (0.61) | SIGMAR1TSHRCYP3A4CYP2D6DRD2 |
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 | SIGMAR1 11/4885TSHR 1589/4885CYP2C19 1159/4885 |
“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.