Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 12/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13375718 | 1.00 | IDH1 (0.36) | IDH1RIPK1ALDH1A1GAAHTT | |
| SCHEMBL4205273 | 1.00 | IDH1 (0.36) | IDH1RIPK1ALDH1A1GAAHTT | |
| SCHEMBL19795842 | 0.92 | ALDH1A1 (0.34) | IDH1ALDH1A1GAAHTTNPSR1 | |
| SCHEMBL18011728 | 0.85 | CYP19A1 (0.36) | ALDH1A1HTTMAOAMAOBCYP3A4 | |
| SCHEMBL18011887 | 0.84 | MAPK1 (0.44) | ALDH1A1MAOAMAOBCYP19A1MEN1 | |
| SCHEMBL18011735 | 0.84 | SCN9A (0.35) | HTTNPSR1KMT2AMAPT | |
| SCHEMBL19795849 | 0.81 | MAPK1 (0.41) | ALDH1A1MAOBCYP19A1MEN1KMT2A | |
| SCHEMBL19795855 | 0.80 | LMNA (0.35) | HTTNPSR1MEN1KMT2AMAPT | |
| SCHEMBL18012015 | 0.79 | STING1 (0.35) | ALDH1A1HTTMEN1KMT2AMAPT | |
| SCHEMBL18011890 | 0.79 | MDM2 (0.38) | CYP2C19MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1841743-A1 | 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY | Allergan, Inc. (US) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006081273-A1 | 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROAYRYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNOSTIMULANT ACTIVITY | ALLERGAN, INC. (US) | 2006-08-03 | — | — | WO | disclosed |