Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.69 |
| ▸ | NPC1 | O15118 | 2/20 | 0.68 |
| ▸ | IDO1 | P14902 | 1/20 | 0.59 |
| ▸ | TDO2 | P48775 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | STAT3 | P40763 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.51 |
| ▸ | WNT3A | P56704 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
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 SCHEMBL3855283 | 0.98 | CTSD (0.67) | CTSDNPC1IDO1TDO2HDAC8 | |
| SCHEMBL29987209 | 0.89 | NPC1 (0.83) | CTSDNPC1IDO1TDO2HDAC8 | |
| SCHEMBL21128714 | 0.89 | NPC1 (0.83) | CTSDNPC1IDO1TDO2HDAC8 | |
| SCHEMBL11632720 | 0.85 | NPC1 (0.55) | CTSDNPC1ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL5189580 | 0.84 | CTNNB1 (0.61) | CTSDNPC1IDO1TDO2HDAC8 | |
| SCHEMBL2723234 | 0.84 | NPC1 (0.75) | CTSDNPC1IDO1TDO2HDAC8 | |
| SCHEMBL2222069 | 0.84 | NPC1 (0.70) | CTSDNPC1IDO1TDO2HDAC8 | |
| SCHEMBL447573 | 0.84 | NPC1 (0.70) | CTSDNPC1IDO1TDO2HDAC8 | |
| SCHEMBL31337028 | 0.84 | NPC1 (0.70) | CTSDNPC1IDO1TDO2HDAC8 | |
| SCHEMBL295407 | 0.81 | CTSD (1.00) | CTSDNPC1ALDH1A1KMT2ALMNA |
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 |