Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.71 |
| ▸ | HPGD | P15428 | 3/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 2/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13554532 | 0.91 | CYP3A4 (0.63) | CYP3A4HPGDTDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6441056 | 0.88 | CYP3A4 (0.64) | CYP3A4HPGDTDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4111402 | 0.86 | CYP3A4 (0.62) | CYP3A4HPGDTDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL17779160 | 0.85 | CYP3A4 (0.74) | CYP3A4HPGDTDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2027170 | 0.84 | CYP3A4 (0.69) | CYP3A4HPGDTDP1SMN1; SMN2USP2 | |
| Ethyl Everninate SCHEMBL1640418 | 0.83 | CYP3A4 (1.00) | CYP3A4HPGDTDP1SMN1; SMN2ALDH1A1 | |
| Ethyl Everninate SCHEMBL31233848 | 0.83 | CYP3A4 (1.00) | CYP3A4HPGDTDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10362928 | 0.83 | HPGD (0.71) | CYP3A4HPGDTDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL13149255 | 0.82 | CYP3A4 (0.50) | CYP3A4HPGDTDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL15328300 | 0.82 | CYP3A4 (0.53) | CYP3A4HPGDTDP1SMN1; SMN2ALDH1A1 |
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 9 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-20090047221-A1 | COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA | NIPRI LIMITED (GB) | 2009-02-19 | — | — | US | disclosed |
| US-20090047221-A1 | COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA | NIPRI LIMITED (GB) | 2009-02-19 | — | — | US | disclosed |
| US-20090047221-A1 | COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA | NIPRI LIMITED (GB) | 2009-02-19 | — | — | US | disclosed |
| EP-1807410-A1 | COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA | NIPRI Limited (GB) | 2007-07-18 | — | — | EP | disclosed |
| EP-1778225-A2 | PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS | Bristol-Myers Squibb Company (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006046071-A1 | COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA | NIPRI LIMITED (GB) | 2006-05-04 | — | — | WO | 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 (2 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 1738/4885HPGD 2536/4885TDP1 3311/4885 |
| US-20090047221-A1 | COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA | MKI67, TP53, CCNA1 | CYP3A4 2804/4885HPGD 227/4885TDP1 1116/4885 |
“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.