Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11559895 | 0.87 | CYP1A2 (0.54) | GRM5GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11557561 | 0.87 | NPY2R (0.46) | GRM5GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11559621 | 0.87 | ALDH1A1 (0.44) | GRM5MGLLNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13389555 | 0.79 | GRM5 (0.44) | GRM5GAAMGLLNPC1KMT2A | |
| SCHEMBL11560889 | 0.78 | GRM5 (0.57) | GRM5GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11580323 | 0.78 | CYP2C19 (0.38) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL11882343 | 0.76 | MGLL (0.72) | GAAMGLLNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL614727 | 0.76 | GAA (0.61) | GAAMGLLNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11554285 | 0.75 | MAPT (0.42) | GAASMN1; SMN2KMT2AMEN1LMNA | |
| SCHEMBL3997777 | 0.74 | GRM5 (0.49) | GRM5SMN1; SMN2USP2 |
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-0000167-A1 | 1,2,3,6-Tetrahydroisonicotinic acid and derivatives thereof, methods and starting products for their preparation, and pharmaceutical compositions containing them. | Krogsgaard-Larsen, Povl (DK) | 1979-01-10 | — | — | EP | disclosed |