Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL850696 | 0.88 | ALDH1A1 (0.55) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| Phosphoric Acid SCHEMBL459429 | 0.81 | ALDH1A1 (0.55) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| SCHEMBL459428 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| SCHEMBL2642153 | 0.74 | — | — | |
| SCHEMBL10667242 | 0.72 | ALDH1A1 (0.62) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| Bromide SCHEMBL6298962 | 0.72 | ALDH1A1 (0.62) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| SCHEMBL24158595 | 0.70 | ALDH1A1 (0.55) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| Acetic Acid SCHEMBL3851421 | 0.70 | ALDH1A1 (0.55) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| SCHEMBL3091821 | 0.70 | — | — | |
| SCHEMBL8011142 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |