Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL16766999 | 0.82 | LMNA (0.36) | LMNANPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL3365567 | 0.77 | MAOA (0.37) | ALDH1A1KDM4ENPC1MAPTRAB9A | |
| SCHEMBL2765284 | 0.77 | KMT2A (0.52) | NISCHALDH1A1LMNAKDM4ENPC1 | |
| SCHEMBL3364919 | 0.76 | CYP1A2 (0.42) | ALDH1A1MAPTRAB9ACYP1A2 | |
| SCHEMBL19186830 | 0.75 | KMT2A (0.50) | NISCHALDH1A1LMNAKDM4ENPC1 | |
| SCHEMBL1436161 | 0.73 | LMNA (0.58) | ALDH1A1LMNAKDM4ENPC1MAPT | |
| SCHEMBL8486152 | 0.72 | LMNA (0.35) | LMNACYP1A2 | |
| SCHEMBL1926319 | 0.72 | METAP2 (0.50) | APPALDH1A1LMNAKDM4ENPC1 | |
| SCHEMBL9955 | 0.72 | METAP2 (0.50) | ADORA2AADORA1APPALDH1A1LMNA | |
| SCHEMBL3442252 | 0.72 | METAP2 (0.50) | APPALDH1A1LMNAKDM4ENPC1 |
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 |