Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.79 |
| ▸ | GAA | P10253 | 2/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.49 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.49 |
| ▸ | GRIN2A | Q12879 | 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 | |
|---|---|---|---|---|
| SCHEMBL79802 | 0.89 | KDM4E (1.00) | KDM4EGAAALDH1A1SMN1; SMN2POLB | |
| Hydrogen Sulfide SCHEMBL27471544 | 0.87 | KDM4E (0.96) | KDM4EGAAALDH1A1SMN1; SMN2POLB | |
| SCHEMBL1567446 | 0.86 | KDM4E (0.58) | KDM4EGAAALDH1A1SMN1; SMN2POLB | |
| SCHEMBL6476392 | 0.84 | KDM4E (0.56) | KDM4EGAAALDH1A1SMN1; SMN2POLB | |
| SCHEMBL8982554 | 0.84 | KDM4E (0.63) | KDM4EGAAALDH1A1POLBNPC1 | |
| Trimethylammonium SCHEMBL27855504 | 0.82 | KDM4E (0.86) | KDM4EGAAALDH1A1SMN1; SMN2POLB | |
| Piperazine SCHEMBL25235944 | 0.79 | KDM4E (0.80) | KDM4EGAAALDH1A1SMN1; SMN2POLB | |
| SCHEMBL1269411 | 0.79 | KDM4E (0.69) | KDM4EGAARAB9AMAPTMEN1 | |
| SCHEMBL27931090 | 0.79 | KDM4E (0.73) | KDM4EGAAALDH1A1SMN1; SMN2POLB | |
| SCHEMBL27933369 | 0.77 | KDM4E (0.77) | KDM4EGAAALDH1A1SMN1; SMN2POLB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6930114-B2 | Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-08-16 | — | — | US | disclosed |
| US-20040138249-A1 | Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors | BAYER PHARMACEUTICALS CORPORATION | 2004-07-15 | — | — | US | disclosed |
| US-20030236276-A1 | Pyrrolo[2.1-a]isoquinoline derivatives | NIEWOHNER ULRICH (DE) | 2003-12-25 | — | — | US | disclosed |
| EP-1347973-A1 | PYRROLO (2.1-A) DIHYDROISOQUINOLINES AND THEIR USE AS PHOSPHODIESTERASE 10A INHIBITORS | Bayer Aktiengesellschaft (DE) | 2003-10-01 | — | — | EP | disclosed |
| WO-2003014117-A1 | 3-SUBSTITUTED PYRROLO[2.1-A]ISOQUINOLINE DERIVATIVES | BAYER CORPORATION (US) | 2003-02-20 | — | — | WO | disclosed |
| WO-2003014116-A1 | PYRROLO[2.1-A]ISOQUINOLINE DERIVATIVES | BAYER CORPORATION (US) | 2003-02-20 | — | — | WO | disclosed |
| WO-2002048144-A1 | PYRROLO (2.1-A) DIHYDROISOQUINOLINES AND THEIR USE AS PHOSPHODIESTERASE 10A INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-06-20 | — | — | 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 (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-20030236276-A1 | Pyrrolo[2.1-a]isoquinoline derivatives | PDE5A, PDE2A, PDE3A | KDM4E 1821/4885GAA 904/4885ALDH1A1 162/4885 |
| US-20040138249-A1 | Pyrrolo (2.1a)dihydroisoquinolines and their use as phosphodiesterase 10a inhibitors | PDE7B, PDE2A, PDE5A | KDM4E 714/4885GAA 1560/4885ALDH1A1 107/4885 |
“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.