Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | CCNC | P24863 | 1/20 | 0.50 |
| ▸ | CDK8 | P49336 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | NGLY1 | Q96IV0 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4463865 | 1.00 | ALDH1A1 (0.51) | ALDH1A1KDM4EHPGDCCNCCDK8 | |
| SCHEMBL4472635 | 0.88 | CCNC (0.50) | ALDH1A1KDM4EHPGDCCNCCDK8 | |
| SCHEMBL4472628 | 0.88 | CCNC (0.50) | ALDH1A1KDM4EHPGDCCNCCDK8 | |
| SCHEMBL15476992 | 0.82 | CA1 (0.50) | ALDH1A1KDM4EHPGDCCNCCDK8 | |
| SCHEMBL15476991 | 0.82 | CA1 (0.50) | ALDH1A1KDM4EHPGDCCNCCDK8 | |
| SCHEMBL6799880 | 0.81 | TRPA1 (0.52) | ALDH1A1KDM4EHPGDKMT2AMAPT | |
| SCHEMBL6799876 | 0.81 | TRPA1 (0.52) | ALDH1A1KDM4EHPGDKMT2AMAPT | |
| SCHEMBL7071660 | 0.77 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2 | |
| SCHEMBL7071396 | 0.77 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2 | |
| SCHEMBL69522 | 0.76 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDCCNCCDK8 |
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-7572805-B2 | Pyrrolo(oxo)isoquinolines as 5HT ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-11 | — | — | US | disclosed |
| EP-1778225-A2 | PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS | Bristol-Myers Squibb Company (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006019886-A2 | PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-02-23 | — | — | WO | 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 | ALDH1A1 2732/4885KDM4E 2789/4885HPGD 2536/4885 |
“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.