Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | PYGL | P06737 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4484759 | 1.00 | CYP3A4 (0.44) | CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT | |
| SCHEMBL3558642 | 0.84 | CYP3A4 (0.46) | CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT | |
| SCHEMBL3727793 | 0.78 | ALDH1A3 (0.40) | HSP90AA1HSP90AB1ALDH1A1L3MBTL1NPC1 | |
| SCHEMBL471670 | 0.76 | HPGD (0.51) | CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT | |
| SCHEMBL16305344 | 0.75 | CHRM2 (0.56) | CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT | |
| SCHEMBL3552169 | 0.75 | USP2 (0.52) | CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT | |
| SCHEMBL3555893 | 0.75 | CYP3A4 (0.49) | CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT | |
| SCHEMBL4462445 | 0.73 | CYP3A4 (0.50) | CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT | |
| SCHEMBL29956454 | 0.73 | CYP3A4 (0.47) | CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT | |
| SCHEMBL4037887 | 0.73 | CYP3A4 (0.47) | CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT |
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-7572805-B2 | Pyrrolo(oxo)isoquinolines as 5HT ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-11 | — | — | US | disclosed |
| US-20060014777-A1 | Pyrrolo(oxo)isoquinolines as 5HT ligands | BRISTOL-MYERS SQUIBB COMPANY | 2006-01-19 | — | — | 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-20060014777-A1 | Pyrrolo(oxo)isoquinolines as 5HT ligands | HTR2B, OPRD1, HTR1B | CYP3A4 1738/4885HSP90AA1 4652/4885HSP90AB1 4404/4885 |
“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.