Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 5/20 | 0.56 |
| ▸ | NOS1 | P29475 | 3/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.52 |
| ▸ | HTR3B | O95264 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.52 |
| ▸ | NOS2 | P35228 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4334880 | 0.87 | NOS3 (0.72) | NOS3NOS1HTR3EHTR3BHTR3A | |
| SCHEMBL4334877 | 0.87 | NOS3 (0.72) | NOS3NOS1HTR3EHTR3BHTR3A | |
| SCHEMBL10656959 | 0.87 | NOS3 (0.72) | NOS3NOS1HTR3EHTR3BHTR3A | |
| SCHEMBL11768791 | 0.83 | PTGS2 (0.49) | NOS3NOS1HTR3EHTR3BHTR3A | |
| SCHEMBL11228128 | 0.83 | PTGS2 (0.49) | NOS3NOS1HTR3EHTR3BHTR3A | |
| SCHEMBL4181089 | 0.82 | IDO1 (0.58) | IDO1CALM1SMN1; SMN2LTA4HAGXT | |
| SCHEMBL27329 | 0.82 | IDO1 (0.58) | IDO1CALM1SMN1; SMN2LTA4HAGXT | |
| SCHEMBL1477048 | 0.80 | IDO1 (0.56) | IDO1CALM1SMN1; SMN2LTA4HAGXT | |
| SCHEMBL1475480 | 0.80 | IDO1 (0.56) | IDO1CALM1SMN1; SMN2LTA4HAGXT | |
| Methoxymethane SCHEMBL28284584 | 0.80 | IDO1 (0.56) | IDO1CALM1SMN1; SMN2LTA4HAGXT |
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 |
|---|---|---|---|---|---|---|---|
| US-7612245-B2 | converting 1,3-butadiene to cis-2-butene in presence of a hydrogenation catalyst mixture containing iron octanoate, triethylaluminium, 2,3-bis(2,6-dimethylphenylimino)butane; catalyst selectivity | INSTITUT FRANCAIS DU PETROLE (FR) | 2009-11-03 | — | — | US | disclosed |