Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.42 |
| ▸ | EP300 | Q09472 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16924922 | 0.86 | PDK1 (0.70) | PDK1ALDH1A1SMN1; SMN2CYP3A4TSHR | |
| SCHEMBL31439591 | 0.83 | PDK1 (0.62) | PDK1ALDH1A1SMN1; SMN2CYP3A4TSHR | |
| SCHEMBL8800296 | 0.83 | PDK1 (0.72) | PDK1ALDH1A1SMN1; SMN2CYP3A4TSHR | |
| SCHEMBL2550259 | 0.83 | PDK1 (0.72) | PDK1ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL6112853 | 0.82 | PDK1 (0.71) | PDK1ALDH1A1SMN1; SMN2CYP3A4TSHR | |
| SCHEMBL28748723 | 0.82 | PDK1 (0.75) | PDK1ALDH1A1SMN1; SMN2CYP3A4TSHR | |
| SCHEMBL16956345 | 0.81 | PDK1 (0.70) | PDK1ALDH1A1SMN1; SMN2CYP3A4TSHR | |
| SCHEMBL16924905 | 0.81 | PDK1 (0.66) | PDK1ALDH1A1SMN1; SMN2CYP3A4TSHR | |
| SCHEMBL6113956 | 0.81 | PDK1 (0.69) | PDK1ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL31439475 | 0.81 | PDK1 (0.69) | PDK1ALDH1A1CYP3A4TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9938245-B2 | Carbonyl erastin analogs and their use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-10 | — | — | US | disclosed |
| US-9938245-B2 | Carbonyl erastin analogs and their use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-10 | — | — | US | disclosed |
| US-20160332974-A1 | CARBONYL ERASTIN ANALOGS AND THEIR USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2016-11-17 | — | — | US | disclosed |
| US-20160332974-A1 | CARBONYL ERASTIN ANALOGS AND THEIR USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2016-11-17 | — | — | US | disclosed |
| WO-2015109009-A1 | CARBONYL ERASTIN ANALOGS AND THEIR USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2015-07-23 | — | — | 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-20160332974-A1 | CARBONYL ERASTIN ANALOGS AND THEIR USE | KEAP1, GPX1, GPX4 | PDK1 673/4885ALDH1A1 407/4885SMN1; SMN2 4544/4885 |
“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.