Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 2/20 | 0.41 |
| ▸ | ADK | P55263 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20459986 | 0.83 | TSHR (0.42) | ALDH1A1MAPK1TSHRKDM4EGAA | |
| SCHEMBL1445139 | 0.81 | KDM4E (0.51) | ALDH1A1MAPK1TSHRKDM4EGAA | |
| SCHEMBL30366458 | 0.81 | KDM4E (0.51) | ALDH1A1MAPK1TSHRKDM4EGAA | |
| SCHEMBL11148029 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPK1TSHRKDM4EPOLB | |
| SCHEMBL11225591 | 0.81 | KDM4E (0.45) | ALDH1A1MAPK1TSHRKDM4EGAA | |
| SCHEMBL11219511 | 0.80 | ALDH1A1 (0.48) | ALDH1A1MAPK1TSHRKDM4EGAA | |
| SCHEMBL11218532 | 0.80 | PIK3CA (0.47) | ALDH1A1MAPK1TSHRKDM4EGAA | |
| SCHEMBL2321391 | 0.79 | MAPK1 (0.50) | ALDH1A1MAPK1TSHRKDM4EGAA | |
| SCHEMBL14725971 | 0.76 | ALDH1A1 (0.44) | ALDH1A1MAPK1TSHRKDM4EGAA | |
| SCHEMBL11229317 | 0.74 | NOS1 (0.58) | ALDH1A1MAPK1TSHRKDM4EGAA |
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-9073927-B2 | Inhibitors of PI3 kinase | FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) | 2015-07-07 | — | — | US | disclosed |
| US-9073927-B2 | Inhibitors of PI3 kinase | FUNDACION CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) | 2015-07-07 | — | — | US | disclosed |
| US-20130053371-A1 | INHIBITORS OF PI3 KINASE | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2013-02-28 | — | — | US | disclosed |
| US-20130053371-A1 | INHIBITORS OF PI3 KINASE | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2013-02-28 | — | — | 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-20130053371-A1 | INHIBITORS OF PI3 KINASE | PIK3CA, MTOR, PIK3C2A | ALDH1A1 2425/4885MAPK1 138/4885TSHR 2962/4885 |
“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.