Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10666358 | 0.77 | IDO1 (0.39) | IDO1NOS3NOS1NOS2TDP1 | |
| SCHEMBL2878615 | 0.77 | TP53 (0.44) | IDO1NOS3NOS1NOS2POLB | |
| Methylene Chloride SCHEMBL28192144 | 0.76 | CYP1A2 (0.38) | IDO1NOS3NOS1NOS2POLB | |
| SCHEMBL8450 | 0.75 | IDO1 (0.44) | IDO1NOS3NOS1NOS2POLB | |
| Water SCHEMBL28337532 | 0.73 | IDO1 (0.43) | IDO1NOS3NOS1NOS2POLB | |
| SCHEMBL27533175 | 0.72 | PAM (0.48) | IDO1NOS3NOS1NOS2TDP1 | |
| SCHEMBL27486846 | 0.72 | ALOX15 (0.38) | IDO1NOS3NOS1NOS2POLB | |
| SCHEMBL14081414 | 0.71 | IDO1 (0.46) | IDO1NOS3NOS1NOS2TDP1 | |
| SCHEMBL7955699 | 0.71 | IDO1 (0.41) | IDO1NOS3NOS1NOS2POLB | |
| SCHEMBL546541 | 0.71 | CYP1A2 (0.42) | IDO1NOS3NOS1NOS2TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0271059-B1 | 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-10-20 | — | — | EP | disclosed |
| US-4971984-A | Cardiovascular disorders, hypotensive agints | BEEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1990-11-20 | — | — | US | disclosed |
| EP-0271059-A1 | 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1988-06-15 | — | — | EP | disclosed |