Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.68 |
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
| ▸ | TACR3 | P29371 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TOP1 | P11387 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2873300 | 0.81 | ACHE (1.00) | ACHENCF1KCNH2NQO2ADORA2A | |
| SCHEMBL10608842 | 0.81 | TACR3 (0.49) | ACHETACR3PDGFRBPDGFRACYP2E1 | |
| SCHEMBL6534319 | 0.81 | TACR3 (0.46) | ACHETACR3PDGFRBPDGFRACYP2E1 | |
| SCHEMBL24505991 | 0.79 | ACHE (0.80) | ACHENCF1NPC1ADORA2AADORA1 | |
| SCHEMBL28516025 | 0.78 | ACHE (0.93) | ACHENCF1ADORA2AADORA1LMNA | |
| SCHEMBL13957916 | 0.78 | KDM4E (0.70) | TACR3NPC1LMNASMN1; SMN2KDM4E | |
| Oxalic Acid SCHEMBL1062152 | 0.74 | ACHE (0.83) | ACHENCF1TACR3KCNH2ADORA2A | |
| SCHEMBL15919363 | 0.74 | ACHE (0.77) | ACHENCF1LMNASMN1; SMN2KDM4E | |
| SCHEMBL4143397 | 0.74 | ACHE (0.77) | ACHENCF1NPC1ADORA2AADORA1 | |
| SCHEMBL4155489 | 0.74 | ACHE (0.72) | ACHENCF1NPC1ADORA2AADORA1 |
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-20090069338-A1 | Method for predicting skin sensitizing activity of compounds | DICKSON JR JOHN K | 2009-03-12 | — | — | US | disclosed |
| US-7452887-B2 | Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof | AMPHORA DISCOVERY CORPORATION (US) | 2008-11-18 | — | — | US | disclosed |
| US-20060009460-A1 | Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof | AGRIUS GROUP, LLC. | 2006-01-12 | — | — | 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-20090069338-A1 | Method for predicting skin sensitizing activity of compounds | ATP5ME, ABCG2, ATP5MG | ACHE 31/4885NCF1 672/4885TACR3 2500/4885 |
| US-20060009460-A1 | Quinoline- and isoquinoline-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof | ATP5ME, ATP5MG, ATP5MK | ACHE 12/4885NCF1 2180/4885TACR3 2602/4885 |
“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.