Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27207986 | 1.00 | MAOB (0.42) | MAOBCYP2C9CYP1A2NPC1RAB9A | |
| SCHEMBL8902338 | 1.00 | MAOB (0.42) | MAOBCYP2C9CYP1A2NPC1RAB9A | |
| SCHEMBL20235895 | 1.00 | MAOB (0.42) | MAOBCYP2C9CYP1A2NPC1RAB9A | |
| SCHEMBL1834852 | 0.83 | ALDH1A1 (0.49) | CYP1A2NPC1RAB9ASMN1; SMN2GRIN2D | |
| SCHEMBL4108436 | 0.83 | ALDH1A1 (0.49) | CYP1A2NPC1RAB9ASMN1; SMN2GRIN2D | |
| SCHEMBL4108437 | 0.83 | ALDH1A1 (0.49) | CYP1A2NPC1RAB9ASMN1; SMN2GRIN2D | |
| SCHEMBL10567938 | 0.83 | ALDH1A1 (0.49) | CYP1A2NPC1RAB9ASMN1; SMN2GRIN2D | |
| SCHEMBL7420415 | 0.81 | NOS2 (0.49) | ALDH1A1KMT2AMEN1MAPTKDM4E | |
| SCHEMBL7420416 | 0.81 | NOS2 (0.49) | ALDH1A1KMT2AMEN1MAPTKDM4E | |
| SCHEMBL6995209 | 0.81 | NPFFR2 (0.45) | NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0751930-A1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1997-01-08 | — | — | EP | disclosed |
| US-5554753-A | Catalytic enantioselective synthesis of α-amino acid derivatives by phase-transfer catalysis | INDIANA UNIVERSITY FOUNDATION (US) | 1996-09-10 | — | — | US | disclosed |
| WO-1995025717-A1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1995-09-28 | — | — | WO | disclosed |
| WO-1995006029-A1 | ENANTIOSELECTIVE SYNTHESIS OF ALPHA - ALKYLATED AMINO ACID DERIVATIVES BY PHASE - TRANSFER CATALYSIS | INDIANA UNIVERSITY FOUNDATION (US) | 1995-03-02 | — | — | WO | disclosed |