Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CLK1 | P49759 | 2/20 | 0.43 |
| ▸ | CLK2 | P49760 | 2/20 | 0.43 |
| ▸ | FLT3 | P36888 | 2/20 | 0.41 |
| ▸ | NRAS | P01111 | 1/20 | 0.41 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.41 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 SCHEMBL5852371 | 0.99 | NPC1 (0.45) | NPC1RAB9ATP53GAAKDM4E | |
| Hydrochloric Acid SCHEMBL3849166 | 0.90 | FLT3 (0.42) | CLK1CLK2FLT3NRASMAP3K5 | |
| SCHEMBL3846729 | 0.90 | SMN1; SMN2 (0.46) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL4713522 | 0.89 | CHEK1 (0.42) | CLK1CLK2FLT3NRASMAP3K5 | |
| Hydrochloric Acid SCHEMBL3847294 | 0.89 | SMN1; SMN2 (0.45) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL4715804 | 0.89 | LOXL2 (0.43) | NPC1RAB9ASMN1; SMN2CLK1CLK2 | |
| Hydrochloric Acid SCHEMBL3855591 | 0.88 | CHEK1 (0.41) | CLK1CLK2FLT3NRASMAP3K5 | |
| Hydrochloric Acid SCHEMBL3847724 | 0.88 | LOXL2 (0.42) | NPC1RAB9ASMN1; SMN2CLK1CLK2 | |
| SCHEMBL4711686 | 0.87 | FLT3 (0.40) | CLK1CLK2FLT3NRASMAP3K5 | |
| Hydrochloric Acid SCHEMBL3846948 | 0.87 | FLT3 (0.39) | CLK1CLK2FLT3NRASMAP3K5 |
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 |