Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL809469 | 0.84 | CYP2D6 (0.40) | CYP2D6CA1ALDH1A1CA2CA4 | |
| SCHEMBL809468 | 0.78 | CA1 (0.36) | CYP2D6CA1CA2CA4NOS3 | |
| SCHEMBL6969466 | 0.75 | CYP2D6 (0.50) | CYP2D6CA1ALDH1A1KMT2AMEN1 | |
| SCHEMBL6979377 | 0.73 | NOS3 (0.38) | CYP2D6CA1ALDH1A1CA2CA4 | |
| SCHEMBL27204456 | 0.71 | ALDH1A1 (0.56) | CA1ALDH1A1KMT2A | |
| SCHEMBL27204455 | 0.71 | ALDH1A1 (0.56) | CA1ALDH1A1KMT2A | |
| SCHEMBL16823323 | 0.71 | ALDH1A1 (0.56) | CA1ALDH1A1KMT2A | |
| SCHEMBL14292335 | 0.71 | ALDH1A1 (0.56) | CA1ALDH1A1KMT2A | |
| SCHEMBL27165048 | 0.71 | ALDH1A1 (0.56) | CA1ALDH1A1KMT2A | |
| SCHEMBL14292595 | 0.70 | ALDH1A1 (0.45) | CA1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7968734-B2 | Organocatalysts and methods of use in chemical synthesis | STC.UNM (US) | 2011-06-28 | — | — | US | disclosed |
| US-20070244328-A1 | Organocatalysts and Methods of Use in Chemical Synthesis | STC.UNM (US) | 2007-10-18 | — | — | 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-20070244328-A1 | Organocatalysts and Methods of Use in Chemical Synthesis | SCO2, CBR1, CBR3 | CYP2D6 193/4885CA1 152/4885ALDH1A1 1287/4885 |
“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.