Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TYMS | P04818 | 8/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 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 | |
|---|---|---|---|---|
| SCHEMBL9038868 | 0.94 | ALDH1A1 (0.46) | ALDH1A1TYMSMEN1KMT2AGSK3B | |
| SCHEMBL9041055 | 0.87 | TYMS (0.45) | ALDH1A1TYMSKDM4EHTTMAPK1 | |
| SCHEMBL9077637 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TYMSMEN1KMT2AKDM4E | |
| SCHEMBL9077614 | 0.79 | ALDH1A1 (0.54) | ALDH1A1TYMSCYP1A2LMNA | |
| SCHEMBL9219065 | 0.77 | MAPT (0.48) | ALDH1A1TYMSMEN1KMT2AKDM4E | |
| SCHEMBL9078243 | 0.76 | TYMS (0.45) | ALDH1A1TYMSKDM4EPOLBHTT | |
| SCHEMBL9078671 | 0.74 | TYMS (0.43) | ALDH1A1TYMSMEN1KMT2AKDM4E | |
| SCHEMBL9039042 | 0.73 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2AKDM4EPOLB | |
| SCHEMBL1565380 | 0.73 | TYMS (0.61) | ALDH1A1TYMSMEN1KMT2AKDM4E | |
| SCHEMBL29532369 | 0.73 | TYMS (0.61) | ALDH1A1TYMSMEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |