Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30345359 | 0.79 | KDM4E (0.41) | ALDH1A1L3MBTL1PDE3BPDE3AKMT2A | |
| SCHEMBL25211812 | 0.79 | KDM4E (0.41) | ALDH1A1L3MBTL1PDE3BPDE3AKMT2A | |
| SCHEMBL30898769 | 0.77 | NOS3 (0.48) | ALDH1A1SMN1; SMN2KDM4CPRKCI | |
| SCHEMBL30590435 | 0.76 | SMN1; SMN2 (0.42) | ALDH1A1KMT2ASMN1; SMN2TP53KDM4E | |
| SCHEMBL17619241 | 0.74 | LMNA (0.40) | ALDH1A1L3MBTL1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL29472130 | 0.74 | LMNA (0.40) | ALDH1A1L3MBTL1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL8534431 | 0.74 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1SMN1; SMN2PKMKDM4E | |
| SCHEMBL31277349 | 0.74 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1SMN1; SMN2PKMKDM4E | |
| SCHEMBL21198627 | 0.73 | KDM4E (0.38) | ALDH1A1L3MBTL1PDE3BPDE3AKDM4E | |
| SCHEMBL17619234 | 0.71 | KDM4E (0.37) | ALDH1A1L3MBTL1PDE3BPDE3AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5084458-A | Bactericides, malaria and antitumor agents | SCHAPER KLAUS JUERGEN (DE) | 1992-01-28 | — | — | US | disclosed |
| EP-0200777-A1 | NEW AMINO COMPOUNDS, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1986-11-12 | — | — | EP | disclosed |
| WO-1986002645-A1 | NEW AMINO COMPOUNDS, PREPARATION PROCESS THEREOF, UTILIZATION THEREOF AND DRUGS CONTAINING THEM | BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT M (DE) | 1986-05-09 | — | — | WO | disclosed |