Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | NPC1 | O15118 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.39 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3852108 | 0.86 | CYP1A2 (0.39) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3854256 | 0.80 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL3855543 | 0.79 | PIK3CD (0.39) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL3848191 | 0.76 | NPC1 (0.48) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL3854810 | 0.75 | MET (0.36) | ALDH1A1NPC1RAB9AMAPK1TSHR | |
| SCHEMBL3848697 | 0.74 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL3852747 | 0.74 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9AHSD17B10SMN1; SMN2 | |
| SCHEMBL3847097 | 0.73 | PRMT5 (0.38) | — | |
| SCHEMBL3853878 | 0.73 | CA1 (0.39) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL3847806 | 0.72 | TMIGD3 (0.37) | NPC1RAB9AMEN1KMT2AADORA2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-1382603-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | EP | disclosed |
| US-7074801-B1 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | EISAI CO., LTD. (JP) | 2006-07-11 | — | — | US | disclosed |
| EP-1382603-A1 | NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | Eisai Co., Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |