Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TOP2A | P11388 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 7/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19450871 | 0.86 | ALDH1A1 (0.43) | ALDH1A1TOP2AKDM4ECES2CES1 | |
| SCHEMBL19123335 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TOP2AKDM4ECES2CES1 | |
| SCHEMBL16751115 | 0.82 | ALDH1A1 (0.48) | ALDH1A1TOP2AKDM4ECES2CES1 | |
| SCHEMBL19480611 | 0.78 | ALDH1A1 (0.53) | ALDH1A1TOP2AKDM4ECES2CES1 | |
| SCHEMBL24517643 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TOP2AKDM4ECES2CES1 | |
| SCHEMBL21515519 | 0.71 | KDM4E (0.47) | ALDH1A1TOP2AKDM4ECES2CES1 | |
| SCHEMBL21306727 | 0.71 | ALDH1A1 (0.53) | ALDH1A1TOP2AKDM4ECES2CES1 | |
| SCHEMBL26218243 | 0.70 | MAPK1 (0.38) | ALDH1A1TOP2AKDM4ECES2CES1 | |
| SCHEMBL20018085 | 0.70 | ALDH1A1 (0.44) | ALDH1A1TOP2AKDM4ECES2CES1 | |
| SCHEMBL12087419 | 0.69 | CES2 (0.41) | ALDH1A1KDM4ECES2CES1LMNA |
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-2293650-B1 | Dipyrrolo[a,h]pyrenes for organic light-emitting devices | SAMSUNG DISPLAY CO LTD (KR) | 2013-03-27 | — | — | EP | disclosed |