Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | F11 | P03951 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 5/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6246632 | 0.90 | MMP13 (0.38) | NPSR1ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL6396503 | 0.86 | MAPK8 (0.38) | NPSR1ALDH1A1KDM4EMAPTPKM | |
| SCHEMBL6395824 | 0.79 | PLA2G2A (0.46) | PLK1NPSR1ALDH1A1HPGDKDM4E | |
| SCHEMBL6850020 | 0.79 | MEN1 (0.48) | PLK1NPSR1ALDH1A1HPGDKDM4E | |
| SCHEMBL6215775 | 0.77 | MMP13 (0.47) | PLK1NPSR1ALDH1A1HPGDKDM4E | |
| SCHEMBL6229879 | 0.75 | MMP13 (0.55) | PLK1NPSR1ALDH1A1HPGDKDM4E | |
| SCHEMBL6233774 | 0.74 | MMP13 (0.52) | KDM4E | |
| SCHEMBL6856148 | 0.73 | PLK1 (0.52) | PLK1NPSR1KDM4EGAAMAPT | |
| SCHEMBL6212989 | 0.72 | MMP13 (0.54) | ALDH1A1MAPTKMT2A | |
| SCHEMBL7415598 | 0.72 | ALDH1A1 (0.57) | PLK1NPSR1ALDH1A1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6962922-B2 | Alkynylated quinazoline compounds | WARNER-LAMBERT COMPANY LLC (US) | 2005-11-08 | — | — | US | disclosed |
| US-20050245548-A1 | Alkynylated fused ring pyrimidine compounds | GAUDILLIERE BERNARD | 2005-11-03 | — | — | US | disclosed |
| US-20050004126-A1 | Method of determining potential allosterically-binding matrix metalloproteinase inhibitors | ANDRIANJARA CHARLES (FR) | 2005-01-06 | — | — | US | disclosed |
| US-20030130278-A1 | Alkynylated fused ring pyrimidine compounds | GAUDILLIERE BERNARD (FR) | 2003-07-10 | — | — | US | disclosed |
| US-20030078276-A1 | Matrix metalloproteinase inhibitors | ANDRIANJARA CHARLES (FR) | 2003-04-24 | — | — | 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 (4 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-20050004126-A1 | Method of determining potential allosterically-binding matrix metalloproteinase inhibitors | MMP13, MMP12, MMP25 | PLK1 1942/4885NPSR1 3566/4885ALDH1A1 4241/4885 |
| US-20030078276-A1 | Matrix metalloproteinase inhibitors | MMP13, MMP25, MMP12 | PLK1 1994/4885NPSR1 3086/4885ALDH1A1 3754/4885 |
| US-20030130278-A1 | Alkynylated fused ring pyrimidine compounds | MMP13, TIMP3, MMP3 | PLK1 4434/4885NPSR1 226/4885ALDH1A1 1473/4885 |
| US-20050245548-A1 | Alkynylated fused ring pyrimidine compounds | MMP13, TIMP3, MMP3 | PLK1 4073/4885NPSR1 201/4885ALDH1A1 1193/4885 |
“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.