Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 9/20 | 0.40 |
| ▸ | NOS3 | P29474 | 8/20 | 0.40 |
| ▸ | NOS1 | P29475 | 5/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | F12 | P00748 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 5/20 | 0.33 |
| ▸ | FEN1 | P39748 | 5/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL984332 | 0.80 | NOS2 (0.52) | NOS2NOS3NOS1PRKCIF12 | |
| SCHEMBL4539853 | 0.78 | NOS2 (0.56) | NOS2NOS3NOS1PRKCIF12 | |
| SCHEMBL16414488 | 0.78 | CXCR4 (0.32) | — | |
| SCHEMBL15889710 | 0.77 | NOS2 (0.39) | NOS2NOS3NOS1PRKCIF12 | |
| SCHEMBL20989742 | 0.77 | NOS2 (0.39) | NOS2NOS3NOS1PRKCIF12 | |
| SCHEMBL31050050 | 0.77 | NOS2 (0.39) | NOS2NOS3NOS1PRKCIF12 | |
| SCHEMBL18590248 | 0.77 | ALOX5AP (0.39) | NOS2NOS3NOS1PRKCIF12 | |
| SCHEMBL30465794 | 0.76 | CYP2A6 (0.34) | — | |
| SCHEMBL3635124 | 0.76 | CYP3A4 (0.30) | — | |
| SCHEMBL2029268 | 0.76 | CYP2A6 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100338088-C | 2-substituted pregna-1,3,5(10)-triene and chola-1,3,5(10)-triene derivatives and their biological activity | RES INST MEDICINE CHEM (US) | 2007-09-19 | — | — | CN | disclosed |
| CN-1444597-A | 2-substituted pregna-1, 3,5(10) -triene and chol-1, 3,5(10) -triene derivatives and their biological activity | RES INST MEDICINE CHEM (US) | 2003-09-24 | — | — | CN | disclosed |