Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | STIM1 | Q13586 | 2/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 2/20 | 0.36 |
| ▸ | CLK1 | P49759 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3848697 | 0.88 | ALDH1A1 (0.45) | ALDH1A1METKDM4EHPGDHSD17B10 | |
| SCHEMBL3852108 | 0.87 | CYP1A2 (0.39) | ALDH1A1METCLK1SMN1; SMN2KDM4E | |
| SCHEMBL3854810 | 0.86 | MET (0.36) | ALDH1A1METFLT3CLK1SMN1; SMN2 | |
| SCHEMBL3846730 | 0.85 | IDO1 (0.40) | METCLK1FGFR3KDR | |
| SCHEMBL3845914 | 0.85 | MAPK1 (0.42) | ALDH1A1METCLK1SMN1; SMN2KDM4E | |
| SCHEMBL3845025 | 0.85 | SORT1 (0.41) | ALDH1A1METCLK1SMN1; SMN2HPGD | |
| SCHEMBL3851356 | 0.85 | KDR (0.46) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL3871634 | 0.84 | ALDH1A1 (0.42) | ALDH1A1METHPGDLMNA | |
| SCHEMBL3851316 | 0.84 | MET (0.41) | METFLT3CLK1FGFR3KDR | |
| SCHEMBL3852095 | 0.84 | ALDH1A1 (0.46) | ALDH1A1METCLK1SMN1; SMN2FGFR3 |
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 |