Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL20033128 | 0.88 | PDK1 (0.55) | PDK1ALDH1A1KDM4EMAPTLMNA | |
| SCHEMBL18232139 | 0.87 | PDK1 (0.52) | PDK1ALDH1A1KDM4EMAPTLMNA | |
| Hydrochloric Acid SCHEMBL31439598 | 0.87 | PDK1 (0.54) | PDK1ALDH1A1KDM4EMAPTLMNA | |
| SCHEMBL31439484 | 0.86 | POLB (0.54) | PDK1ALDH1A1KDM4EMAPTLMNA | |
| SCHEMBL31439530 | 0.85 | PDK1 (0.52) | PDK1ALDH1A1KDM4EMAPTLMNA | |
| SCHEMBL20033129 | 0.84 | PDK1 (0.51) | PDK1ALDH1A1KDM4EMAPTLMNA | |
| SCHEMBL20033130 | 0.81 | PDE4B (0.44) | ALDH1A1KDM4EMAPTLMNAPOLB | |
| SCHEMBL31439600 | 0.80 | PDK1 (0.58) | PDK1ALDH1A1KDM4ELMNAPOLB | |
| SCHEMBL16924922 | 0.78 | PDK1 (0.70) | PDK1ALDH1A1LMNAPOLBHTT | |
| SCHEMBL16924930 | 0.78 | PDK1 (0.66) | PDK1ALDH1A1LMNAPOLBHTT |
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-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 |
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 407/4885KDM4E 2326/4885 |
“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.