Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.47 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.47 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.47 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29062 | 0.84 | FOLH1 (0.66) | ALDH1A1LMNAFFAR1KEAP1PTGER1 | |
| SCHEMBL13601942 | 0.81 | KEAP1 (0.47) | ALDH1A1LMNAFFAR1KEAP1PTGER1 | |
| SCHEMBL28248640 | 0.81 | KEAP1 (0.47) | ALDH1A1LMNAFFAR1KEAP1PTGER1 | |
| SCHEMBL59198 | 0.81 | KEAP1 (0.65) | FFAR1KEAP1PTGER1PTGER4PTGER3 | |
| SCHEMBL9806384 | 0.81 | LMNA (0.65) | ALDH1A1LMNAFFAR1FOLH1SMN1; SMN2 | |
| SCHEMBL31497733 | 0.81 | LMNA (0.65) | ALDH1A1LMNAFFAR1FOLH1SMN1; SMN2 | |
| SCHEMBL17871919 | 0.81 | KEAP1 (0.50) | ALDH1A1LMNAFFAR1KEAP1PTGER1 | |
| SCHEMBL2439695 | 0.80 | ALDH1A1 (0.76) | ALDH1A1LMNAKEAP1NPSR1KDM4E | |
| SCHEMBL6555816 | 0.80 | BCAT2 (0.62) | ALDH1A1LMNAFFAR1SMN1; SMN2KDM4E | |
| SCHEMBL2125820 | 0.80 | ALDH1A1 (0.47) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-111517902-B | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2022-06-14 | — | — | CN | disclosed |
| CN-111517902-A | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2020-08-11 | — | — | CN | disclosed |
| US-20090325962-A1 | TYROSINE DERIVATIVE | GENENTECH, INC. (US) | 2009-12-31 | — | — | US | disclosed |
| WO-2002102301-A2 | SUBSTITUTED INDOLE-2-CARBOXYLIC ACID BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | CYTOVIA, INC. (US) | 2002-12-27 | — | — | WO | 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-20090325962-A1 | TYROSINE DERIVATIVE | VCAM1, ICAM1, ITGB4 | ALDH1A1 401/4885LMNA 4443/4885FFAR1 3047/4885 |
“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.