Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.51 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3849044 | 0.98 | CHRM2 (0.57) | CHRM2CHRM1CHRM3CES2CES1 | |
| SCHEMBL3846489 | 0.83 | CES2 (0.61) | CHRM2CHRM1CHRM3CES2CES1 | |
| SCHEMBL11248287 | 0.82 | CES2 (0.69) | CHRM2CHRM1CHRM3CES2CES1 | |
| SCHEMBL30758862 | 0.82 | CES2 (0.69) | CHRM2CHRM1CHRM3CES2CES1 | |
| Hydrochloric Acid SCHEMBL3849048 | 0.81 | CES2 (0.59) | CHRM2CHRM1CHRM3CES2CES1 | |
| Hydrochloric Acid SCHEMBL15974464 | 0.81 | CES2 (0.59) | CHRM2CHRM1CHRM3CES2CES1 | |
| SCHEMBL3852942 | 0.81 | HDAC1 (0.56) | CES2CES1NPC1POLBKMT2A | |
| SCHEMBL7440403 | 0.80 | MTNR1A (0.63) | CHRM2CHRM1CHRM3CES2CES1 | |
| SCHEMBL31413028 | 0.80 | CHRM2 (0.59) | CHRM2CHRM1CHRM3CES2CES1 | |
| SCHEMBL2558590 | 0.80 | CHRM2 (0.62) | CHRM2CHRM1CHRM3CES2CES1 |
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 |