Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | LIG1 | P18858 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | KHK | P50053 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3847567 | 0.98 | PKM (0.50) | PKMLIG1MEN1CYP2D6KMT2A | |
| Hydrochloric Acid SCHEMBL224845 | 0.75 | MEN1 (0.47) | MEN1CYP2D6KMT2AHRH3HTR3E | |
| Hydrochloric Acid SCHEMBL229437 | 0.75 | MEN1 (0.47) | MEN1CYP2D6KMT2AHRH3HTR3E | |
| SCHEMBL6206003 | 0.71 | MEN1 (0.41) | MEN1CYP2D6KMT2ATSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL6207103 | 0.71 | MEN1 (0.43) | MEN1CYP2D6KMT2ATSHRSLC6A2 | |
| SCHEMBL13874024 | 0.70 | MEN1 (0.66) | MEN1CYP2D6KMT2AKHKALDH1A1 | |
| SCHEMBL13874464 | 0.70 | SLC6A2 (0.35) | PKMLIG1PLAUSLC6A2SLC6A4 | |
| SCHEMBL9373389 | 0.69 | PKM (0.70) | PKMLIG1PLAUTSHRNR1D1 | |
| SCHEMBL2723219 | 0.69 | PKM (1.00) | PKMLIG1MEN1KMT2APLAU | |
| Tert-Butyl Formate SCHEMBL28779357 | 0.69 | MEN1 (0.39) | MEN1CYP2D6KMT2AHRH3HTR3E |
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-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 |