Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.43 |
| ▸ | HPGD | P15428 | 6/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 6/20 | 0.40 |
| ▸ | CASP1 | P29466 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CASP7 | P55210 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL15571750 | 0.89 | CYP1A2 (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| Water SCHEMBL15572489 | 0.89 | CYP1A2 (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| Phosphonic Acid SCHEMBL15572048 | 0.87 | ALDH1A1 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| Phosphonic Acid SCHEMBL15572191 | 0.87 | ALDH1A1 (0.39) | CYP1A2ERBB2FYNMAOAACHE | |
| Acetic Acid SCHEMBL15572308 | 0.85 | KDM4E (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| Acetic Acid SCHEMBL15572719 | 0.85 | ALDH1A1 (0.41) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL513014 | 0.82 | ALDH1A1 (0.45) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4852538 | 0.82 | CYP1A2 (0.60) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4847644 | 0.82 | ALDH1A1 (0.55) | CYP1A2ERBB2FYNMAOAACHE | |
| Isophthalic Acid SCHEMBL15572383 | 0.82 | MEN1 (0.45) | CYP1A2ALDH1A1HSD17B10HPGDKDM4E |
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-7091341-B2 | Catalyst and a method for the trimerization of isocyanates | RHODIA CHIMIE (FR) | 2006-08-15 | — | — | US | disclosed |
| US-20050080259-A1 | Catalyst and a method for the trimerization of isocyanates | RHODIA CHIMIE | 2005-04-14 | — | — | US | disclosed |
| US-6635761-B1 | Adding to reaction medium comprising monomeric isocyanates catalyst comprising hydrogencarbonate of cation which either as such or in complexed form has average molecular or ionic radius of more than 1 Angstrom, and is soluble in medium | RHODIA CHIMIE (FR) | 2003-10-21 | — | — | 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-20050080259-A1 | Catalyst and a method for the trimerization of isocyanates | IDH1, IDH3A, IDH2 | CYP1A2 1589/4885ERBB2 3431/4885FYN 1357/4885 |
“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.