Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 2/20 | 0.66 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | PRKDC | P78527 | 3/20 | 0.54 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.47 |
| ▸ | HTR3B | O95264 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 2/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL5342355 | 0.87 | PDE3B (0.63) | PDE3BPDE3AALDH1A1HPGDHSD17B10 | |
| SCHEMBL5340254 | 0.87 | PDE3B (0.71) | PDE3BPDE3AALDH1A1HPGDHSD17B10 | |
| SCHEMBL9463878 | 0.74 | ALDH1A1 (1.00) | ALDH1A1HPGDHSD17B10KDM4ETSHR | |
| SCHEMBL8442563 | 0.72 | HPGD (0.72) | ALDH1A1HPGDHSD17B10KDM4ETSHR | |
| SCHEMBL28365890 | 0.71 | KMT2A (0.62) | PDE3BPDE3AALDH1A1HSD17B10KDM4E | |
| SCHEMBL31061250 | 0.70 | PRKDC (1.00) | PRKDC | |
| Trimethylammonium SCHEMBL9481220 | 0.70 | ALDH1A1 (0.88) | ALDH1A1HPGDHSD17B10KDM4ETSHR | |
| SCHEMBL6155892 | 0.69 | MAOB (0.58) | ALDH1A1HPGDKDM4EPRKDCCDK2 | |
| SCHEMBL9229883 | 0.69 | PRKDC (0.52) | PDE3BPDE3AALDH1A1HPGDHSD17B10 | |
| SCHEMBL11508281 | 0.68 | ALDH1A1 (0.67) | ALDH1A1HPGDHSD17B10KDM4ETSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3040073-A1 | APPLICATIONS OF SUBSTITUENT BENZYLOXY GROUP CONTAINING ETHER COMPOUNDS FOR PREPARING ANTITUMOR DRUGS | Sinochem Corporation (CN) | 2016-07-06 | — | — | EP | disclosed |
| US-7312210-B2 | Pyrrolo[2,1-c][1,4]benzodiazepine compounds and processes for the preparation thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-12-25 | — | — | US | disclosed |
| WO-2007054954-A1 | A NOVEL PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRID AND A PROCESS FOR THE PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2007-05-18 | — | — | WO | disclosed |
| US-20070082891-A1 | Novel pyrrolo[2,1-C] [1,4] benzodiazepine compounds and processes for the preparation thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2007-04-12 | — | — | 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-20070082891-A1 | Novel pyrrolo[2,1-C] [1,4] benzodiazepine compounds and processes for the preparation thereof | GABRA1, GABRA4, GABRA2 | PDE3B 2044/4885PDE3A 2275/4885ALDH1A1 528/4885 |
“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.