Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2543684 | 0.83 | ALDH1A1 (0.45) | ALDH1A1KDM4EUSP2TSHRKMT2A | |
| SCHEMBL3398933 | 0.82 | NOTUM (0.48) | ALDH1A1KDM4EUSP2TSHRKMT2A | |
| SCHEMBL3398778 | 0.81 | ALDH1A1 (0.37) | ALDH1A1KDM4EUSP2TSHRKMT2A | |
| SCHEMBL3399084 | 0.81 | NPC1 (0.39) | ALDH1A1KDM4EUSP2TSHRKMT2A | |
| SCHEMBL11014233 | 0.76 | KDM4E (0.55) | ALDH1A1KDM4EUSP2TSHRKMT2A | |
| SCHEMBL21054837 | 0.73 | ALDH1A1 (0.38) | ALDH1A1KMT2AMEN1MAPK1POLB | |
| SCHEMBL2949533 | 0.71 | ALDH1A1 (0.39) | ALDH1A1KMT2AMEN1MAPK1BRD4 | |
| SCHEMBL2300260 | 0.69 | NOTUM (0.43) | ALDH1A1KDM4EUSP2TSHRKMT2A | |
| SCHEMBL21054521 | 0.69 | BRS3 (0.39) | ALDH1A1KMT2AMEN1NPC1HPGD | |
| SCHEMBL2302826 | 0.69 | NPC1 (0.36) | ALDH1A1KDM4EUSP2TSHRKMT2A |
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-8410277-B2 | Method for manufacturing heterocycle substituted pyridine derivatives | Eisai R&D Managment Co., Ltd. (JP) | 2013-04-02 | — | — | US | disclosed |
| EP-2226320-A1 | PROCESS FOR PRODUCTION OF HETEROCYCLE-SUBSTITUTED PYRIDINE DERIVATIVE | Eisai R&D Management Co., Ltd. (JP) | 2010-09-08 | — | — | EP | disclosed |