Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | NOS1 | P29475 | 4/20 | 0.42 |
| ▸ | NOS2 | P35228 | 4/20 | 0.42 |
| ▸ | TLR4 | O00206 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL918157 | 1.00 | CYP1A2 (0.52) | CYP1A2NOS1NOS2TLR4NOS3 | |
| SCHEMBL6516575 | 1.00 | CYP1A2 (0.52) | CYP1A2NOS1NOS2TLR4NOS3 | |
| SCHEMBL5878611 | 0.94 | CYP1A2 (0.54) | CYP1A2NOS1NOS2TLR4NOS3 | |
| SCHEMBL3539637 | 0.94 | CYP1A2 (0.55) | CYP1A2NOS1NOS2TLR4NOS3 | |
| SCHEMBL9678723 | 0.94 | CYP1A2 (0.55) | CYP1A2NOS1NOS2TLR4NOS3 | |
| SCHEMBL16160401 | 0.94 | CYP1A2 (0.54) | CYP1A2NOS1NOS2TLR4NOS3 | |
| SCHEMBL4860248 | 0.94 | CYP1A2 (0.55) | CYP1A2NOS1NOS2TLR4NOS3 | |
| SCHEMBL18800105 | 0.93 | CYP1A2 (0.53) | CYP1A2NOS1NOS2NOS3ALDH1A1 | |
| SCHEMBL10719856 | 0.93 | CYP1A2 (0.53) | CYP1A2NOS1NOS2NOS3ALDH1A1 | |
| SCHEMBL11009926 | 0.93 | CYP1A2 (0.53) | CYP1A2NOS1NOS2NOS3ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080125310-A1 | Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-05-29 | — | — | US | disclosed |
| US-7323604-B2 | Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-01-29 | — | — | US | disclosed |
| US-20060161024-A1 | Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2006-07-20 | — | — | 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-20060161024-A1 | Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts | ECH1, CBR1, DHCR24 | CYP1A2 424/4885NOS1 559/4885NOS2 832/4885 |
“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.