Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.66 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.62 |
| ▸ | MMP3 | P08254 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.58 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.58 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1605906 | 0.91 | HDAC8 (0.74) | PLK1HDAC8MMP3ALDH1A1HPGD | |
| SCHEMBL6633131 | 0.86 | ALDH1A1 (0.82) | PLK1HDAC8MMP3ALDH1A1HPGD | |
| SCHEMBL3781509 | 0.85 | MMP3 (0.67) | PLK1HDAC8MMP3ALDH1A1HPGD | |
| SCHEMBL28900406 | 0.85 | HDAC8 (0.57) | PLK1HDAC8MMP3ALDH1A1HPGD | |
| SCHEMBL5427460 | 0.81 | MMP3 (0.67) | PLK1HDAC8MMP3ALDH1A1HPGD | |
| SCHEMBL1563557 | 0.80 | RAB9A (0.56) | PLK1HDAC8MMP3ALDH1A1HPGD | |
| SCHEMBL4307961 | 0.80 | MMP3 (0.65) | PLK1HDAC8MMP3ALDH1A1HPGD | |
| SCHEMBL1794660 | 0.80 | MMP3 (0.65) | PLK1HDAC8MMP3ALDH1A1HPGD | |
| SCHEMBL8505311 | 0.80 | PLK1 (0.68) | PLK1HDAC8MMP3ALDH1A1HPGD | |
| SCHEMBL8191199 | 0.79 | PLK1 (1.00) | PLK1HDAC8MMP3ALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101103002-A | 3,4,(5)-substituted tetrahydropyridines | NOVARTIS AG (CH) | 2008-01-09 | — | — | CN | claimed |
| US-20050197350-A1 | Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof | TAISHO PHARMACEUTICAL CO., LTD. | 2005-09-08 | — | — | 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-20050197350-A1 | Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof | HCRTR2, MCHR1, MCHR2 | PLK1 2105/4885HDAC8 4616/4885MMP3 4711/4885 |
“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.