Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 7/20 | 0.58 |
| ▸ | NOS3 | P29474 | 6/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CD44 | P16070 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL580504 | 0.93 | — | — | |
| SCHEMBL30374657 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28660209 | 0.91 | NOS2 (0.62) | NOS2NOS3LMNACCR1CCR5 | |
| Ammonia Solution, Strong SCHEMBL28486618 | 0.91 | NOS2 (0.62) | NOS2NOS3LMNACCR1CCR5 | |
| Hexane SCHEMBL28173825 | 0.81 | NOS2 (0.52) | NOS2NOS3LMNACCR1CCR5 | |
| SCHEMBL29507149 | 0.73 | — | — | |
| SCHEMBL29593111 | 0.73 | — | — | |
| SCHEMBL1502884 | 0.73 | — | — | |
| SCHEMBL373587 | 0.73 | — | — | |
| Cyanide SCHEMBL27554381 | 0.73 | NOS2 (0.86) | NOS2NOS3LMNACCR1CCR5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103930423-A | Pyrazoloquinoline Derivatives | EISAI R&D MAN CO LTD | 2014-07-16 | — | — | CN | disclosed |