Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.55 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.55 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL29803616 | 0.94 | NPC1 (0.65) | NPC1RAB9AGAAALDH1A1LMNA | |
| SCHEMBL24670566 | 0.94 | NPC1 (0.65) | NPC1RAB9AGAAALDH1A1LMNA | |
| SCHEMBL29800850 | 0.88 | NPC1 (0.55) | NPC1RAB9AGPR35GAAALDH1A1 | |
| SCHEMBL23242595 | 0.88 | NPC1 (0.55) | NPC1RAB9AGPR35GAAALDH1A1 | |
| SCHEMBL1308286 | 0.87 | NPC1 (0.57) | NPC1RAB9AGPR35GAAALDH1A1 | |
| SCHEMBL3848971 | 0.85 | RAB9A (0.70) | NPC1RAB9AGAAALDH1A1LMNA | |
| SCHEMBL3848169 | 0.81 | MAPT (0.67) | NPC1RAB9AGPR35GAAALDH1A1 | |
| SCHEMBL3851218 | 0.81 | RAB9A (0.78) | NPC1RAB9AGPR35GAAALDH1A1 | |
| SCHEMBL14695827 | 0.81 | NPC1 (0.55) | NPC1RAB9AGAAALDH1A1LMNA | |
| SCHEMBL17664258 | 0.80 | KDM4E (0.55) | NPC1RAB9AGPR35GAAALDH1A1 |
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 |