Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | APP | P05067 | 3/20 | 0.47 |
| ▸ | TERT | O14746 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 3/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25085593 | 0.94 | CYP1A2 (0.55) | CYP1A2CYP2A6APPTERTALDH1A1 | |
| SCHEMBL15131776 | 0.84 | SIGMAR1 (0.47) | CYP1A2CYP2A6APPTERTALDH1A1 | |
| SCHEMBL347592 | 0.82 | CYP2A6 (0.80) | CYP1A2CYP2A6ALDH1A1MAPK1AKR1C3 | |
| SCHEMBL12566471 | 0.82 | TERT (0.64) | APPTERTALDH1A1TSHRCYP3A4 | |
| SCHEMBL29407167 | 0.82 | CYP2A6 (0.80) | CYP1A2CYP2A6ALDH1A1MAPK1AKR1C3 | |
| SCHEMBL14311184 | 0.82 | APP (0.45) | CYP2A6APPTERTALDH1A1TSHR | |
| SCHEMBL6044185 | 0.82 | APP (0.49) | CYP1A2CYP2A6APPTERTALDH1A1 | |
| SCHEMBL1901448 | 0.80 | SIGMAR1 (0.51) | ALDH1A1CYP3A4SIGMAR1HSD17B10EGFR | |
| SCHEMBL14311185 | 0.79 | SIGMAR1 (0.46) | CYP1A2CYP2A6APPTERTALDH1A1 | |
| SCHEMBL13432618 | 0.79 | CYP1A2 (0.74) | CYP1A2CYP2A6AKR1C3AKR1C2SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021118727-A2 | FLUOROGENIC AMINO ACIDS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2021-06-17 | — | — | WO | disclosed |
| US-20130190497-A1 | FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2013-07-25 | — | — | US | disclosed |
| US-20100048604-A1 | Ligands for Aldoketoreductases | TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2010-02-25 | — | — | 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 (2 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-20100048604-A1 | Ligands for Aldoketoreductases | AKR1C2, AKR1C1, AKR1B1 | CYP1A2 98/4885CYP2A6 315/4885APP 3894/4885 |
| US-20130190497-A1 | FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS | SLC18A2, SLC6A2, SLC18A3 | CYP1A2 1053/4885CYP2A6 1899/4885APP 1119/4885 |
“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.