Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 11/20 | 0.41 |
| ▸ | NOS2 | P35228 | 5/20 | 0.41 |
| ▸ | NOS3 | P29474 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18202506 | 0.80 | NOS1 (0.39) | NOS1NOS2NOS3 | |
| SCHEMBL3014825 | 0.79 | SLC11A2 (0.46) | NOS1NOS2NOS3NPC1TNF | |
| SCHEMBL11982706 | 0.78 | SIGMAR1 (0.47) | NOS1NOS2 | |
| SCHEMBL18202504 | 0.77 | HSD17B10 (0.42) | HTTKDM4EMEN1ALDH1A1CYP1A2 | |
| SCHEMBL14793320 | 0.75 | QRFPR (0.48) | NOS1NOS2CHRNA7HPGDKMT2A | |
| SCHEMBL11973935 | 0.74 | GRIN2D (0.50) | NOS1NOS2 | |
| SCHEMBL1145793 | 0.74 | IDO1 (0.55) | — | |
| SCHEMBL14028969 | 0.74 | NOS1 (0.36) | NOS1NOS2NOS3CHRNA7 | |
| SCHEMBL13715502 | 0.74 | NOS1 (0.41) | NOS1NOS2NOS3CHRNA7 | |
| SCHEMBL1157243 | 0.74 | NOS1 (0.53) | NOS1NOS2NOS3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012059932-A1 | 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2012-05-10 | — | — | WO | disclosed |