Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 5/20 | 0.37 |
| ▸ | NOS1 | P29475 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | NOS3 | P29474 | 3/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8607235 | 0.88 | NOS2 (0.38) | NOS2NOS1NPC1CYP3A4NOS3 | |
| SCHEMBL8608767 | 0.78 | MEN1 (0.31) | MEN1KMT2A | |
| SCHEMBL9753555 | 0.72 | PGK1 (0.41) | NOS2NOS1NPC1NOS3DYRK1A | |
| SCHEMBL1977482 | 0.72 | ALDH1A1 (0.42) | NOS2CYP3A4MEN1ALDH1A1KMT2A | |
| SCHEMBL28961393 | 0.71 | CALM1 (0.51) | NOS2CYP3A4BACE1HPGDMEN1 | |
| SCHEMBL2088060 | 0.70 | NOS3 (0.54) | NOS2NOS1NPC1CYP3A4NOS3 | |
| SCHEMBL27850532 | 0.70 | MBOAT4 (0.30) | — | |
| Butane SCHEMBL16290769 | 0.68 | PTGS2 (0.42) | NOS2MEN1ALDH1A1KMT2ACYP19A1 | |
| SCHEMBL9017643 | 0.66 | FFAR4 (0.42) | NOS2NPC1RAB9ACYP19A1SMN1; SMN2 | |
| SCHEMBL8507266 | 0.65 | IDO1 (0.52) | NPC1CYP3A4ALDH1A1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5716964-A | BRAIN DISORDERS; ANTIISCHEMIC AGENTS | G.D. SEARLE & CO. (US) | 1998-02-10 | — | — | US | disclosed |