Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 3/20 | 0.45 |
| ▸ | KIT | P10721 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SCD | O00767 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1330302 | 0.85 | RAB9A (0.62) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1329839 | 0.85 | NPC1 (0.65) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1329808 | 0.84 | RAB9A (0.53) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1330880 | 0.83 | NPC1 (0.64) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1331665 | 0.77 | DRD4 (0.59) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1331055 | 0.77 | RAB9A (0.77) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1331421 | 0.76 | SMN1; SMN2 (0.56) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7703129 | 0.76 | RAB9A (0.75) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1331937 | 0.76 | SMN1; SMN2 (0.65) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1331635 | 0.75 | ALDH1A1 (0.60) | ALDH1A1MAPTNPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2185502-A1 | PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS | F. Hoffmann-Roche AG (CH) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009019149-A1 | PYRIDINECARBOXAMIDE AND BENZAMIDE DERIVATIVES AS TAAR1 LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | WO | disclosed |