Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 10/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 10/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | PTPRA | P18433 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1383327 | 0.83 | CYP2D6 (0.35) | CYP3A4TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL16224765 | 0.71 | PARP1 (0.40) | PARP1CYP3A4TSHRALDH1A1HPGD | |
| SCHEMBL10802574 | 0.66 | MTNR1A (0.39) | PARP1TSHRKDM4EMTNR1AMTNR1B | |
| SCHEMBL4590484 | 0.65 | MTNR1A (0.44) | CYP3A4TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL31213979 | 0.65 | MTNR1A (0.44) | CYP3A4TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL9009806 | 0.61 | HTR2A (0.40) | CYP3A4TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL345447 | 0.61 | MTNR1A (0.47) | CYP3A4TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL9517016 | 0.61 | MTNR1A (0.41) | CYP3A4TSHRKDM4EALDH1A1HPGD | |
| SCHEMBL255918 | 0.61 | TSHR (0.50) | PARP1CYP3A4TSHRKDM4EALDH1A1 | |
| SCHEMBL28007657 | 0.60 | MTNR1A (0.47) | CYP3A4TSHRKDM4EMTNR1AMTNR1B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1042291-B1 | ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS | KLINGE CO CHEM PHARM FAB (DE) | 2005-07-13 | — | — | EP | claimed |
| US-20100227896-A1 | USE OF VITAMIN PP COMPOUNDS | ASTELLAS DEUTSCHLAND GMBH (DE) | 2010-09-09 | — | — | US | disclosed |
| US-7320993-B1 | Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents | ASTELLAS DEUTSCHLAND GMBH (DE) | 2008-01-22 | — | — | US | disclosed |
| EP-1079832-B1 | USE OF VITAMIN PP COMPOUNDS | KLINGE CO CHEM PHARM FAB (DE) | 2005-11-30 | — | — | EP | disclosed |
| EP-1042291-B1 | ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS | KLINGE CO CHEM PHARM FAB (DE) | 2005-07-13 | — | — | EP | 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-20100227896-A1 | USE OF VITAMIN PP COMPOUNDS | PNPO, NAMPT, NAPRT | PARP1 255/4885CYP3A4 905/4885TSHR 3774/4885 |
“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.