Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.38 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.38 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3793169 | 0.98 | ALDH1A1 (0.54) | ALDH1A1HSD17B10KEAP1ADORA1ADORA2A | |
| SCHEMBL29492484 | 0.98 | ALDH1A1 (0.54) | ALDH1A1HSD17B10KEAP1ADORA1ADORA2A | |
| Hydrochloric Acid SCHEMBL9311952 | 0.96 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KEAP1ADORA1ADORA2A | |
| SCHEMBL6557724 | 0.85 | ALDH1A1 (0.52) | ALDH1A1KEAP1TAAR1CYP1A2CYP2C9 | |
| SCHEMBL3789841 | 0.81 | TAAR1 (0.50) | ALDH1A1HSD17B10KEAP1TAAR1MAPT | |
| SCHEMBL3785218 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HSD17B10KEAP1ADORA1ADORA2A | |
| SCHEMBL3783916 | 0.80 | MAOA (0.47) | ALDH1A1TAAR1MKNK1MKNK2MAPT | |
| SCHEMBL29901139 | 0.79 | ALDH1A1 (0.62) | ALDH1A1KEAP1CYP1A2BACE1HDAC1 | |
| SCHEMBL3787023 | 0.78 | ALDH1A1 (0.59) | ALDH1A1HSD17B10KEAP1ADORA2ACYP1A2 | |
| SCHEMBL21088010 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KEAP1TAAR1CYP1A2BACE1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8653089-B2 | Heterocyclic compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-18 | — | — | US | disclosed |
| EP-2673269-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012107465-A1 | HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-16 | — | — | WO | disclosed |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | 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-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | PIK3CA, PIK3CD, AKT3 | ALDH1A1 1680/4885HSD17B10 664/4885KEAP1 848/4885 |
“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.