Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 7/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | HTT | P42858 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17591519 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAPTKDM4ECYP3A4GAA | |
| SCHEMBL20221393 | 0.78 | DHODH (0.45) | DHODHALDH1A1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL7093738 | 0.78 | DHODH (0.45) | DHODHALDH1A1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL20663205 | 0.78 | DHODH (0.47) | DHODHALDH1A1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL17591502 | 0.76 | LMNA (0.50) | ALDH1A1TDP1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL20726017 | 0.75 | DHODH (0.49) | DHODHALDH1A1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL6245212 | 0.73 | CYP3A4 (0.64) | ALDH1A1TDP1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL11020065 | 0.71 | TDP1 (0.44) | DHODHALDH1A1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL11022109 | 0.71 | TDP1 (0.44) | DHODHALDH1A1TDP1MAPTSMN1; SMN2 | |
| SCHEMBL22991960 | 0.71 | MAPT (0.49) | DHODHALDH1A1TDP1MAPTSMN1; 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 |
|---|---|---|---|---|---|---|---|
| EP-2776430-B1 | 2- (1,2,3-TRIAZOL-2-YL) BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL) PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-03-16 | — | — | EP | disclosed |