Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2478208 | 0.77 | CYP1A2 (0.38) | SLC22A2SLC22A1SLC22A3PLAUNPC1 | |
| SCHEMBL3146112 | 0.76 | ALDH1A1 (0.39) | MEN1KMT2AALDH1A1 | |
| SCHEMBL7794041 | 0.76 | NPC1 (0.38) | SLC22A2SLC22A1SLC22A3PLAUNPC1 | |
| SCHEMBL723225 | 0.74 | ALDH1A1 (0.39) | KMT2AALDH1A1MAPT | |
| SCHEMBL7794523 | 0.73 | HTR3E (0.37) | SLC22A2SLC22A1SLC22A3PLAUNPC1 | |
| SCHEMBL7794037 | 0.72 | CA12 (0.44) | NOS3NPC1RAB9AMEN1KMT2A | |
| SCHEMBL11061143 | 0.68 | KMT2A (0.65) | NPC1RAB9AKMT2AALDH1A1MAPT | |
| SCHEMBL19233529 | 0.67 | KMT2A (0.68) | NPC1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL7784544 | 0.67 | HTR3E (0.41) | MEN1KMT2ATDP1LMNAMAPT | |
| SCHEMBL7784569 | 0.67 | ACHE (0.40) | SLC22A2SLC22A1SLC22A3PLAUNOS3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1177175-A2 | HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000068198-A2 | HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2000-11-16 | — | — | WO | disclosed |