Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18232137 | 0.84 | SLC7A11 (0.51) | ALDH1A1MEN1KMT2ASLC7A11KDM4E | |
| SCHEMBL18232134 | 0.84 | PDK1 (0.56) | PDK1ALDH1A1MEN1KMT2AHTT | |
| SCHEMBL16914888 | 0.81 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2AHTTKDM4E | |
| SCHEMBL20033128 | 0.81 | PDK1 (0.55) | PDK1ALDH1A1MEN1KMT2AHTT | |
| SCHEMBL18232139 | 0.81 | PDK1 (0.52) | PDK1ALDH1A1MEN1KMT2AHTT | |
| Hydrochloric Acid SCHEMBL31439598 | 0.80 | PDK1 (0.54) | PDK1ALDH1A1MEN1KMT2AHTT | |
| SCHEMBL31439484 | 0.80 | POLB (0.54) | PDK1ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL31439530 | 0.78 | PDK1 (0.52) | PDK1ALDH1A1MEN1KMT2AHTT | |
| SCHEMBL22304876 | 0.77 | ALDH1A1 (0.62) | ALDH1A1MEN1KMT2AHTTSMN1; SMN2 | |
| SCHEMBL31439600 | 0.75 | PDK1 (0.58) | PDK1ALDH1A1MEN1KMT2ASMN1; SMN2 |
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 2 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 |