Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CFD | P00746 | 1/20 | 0.39 |
| ▸ | F11 | P03951 | 1/20 | 0.39 |
| ▸ | TPSB2 | P20231 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | LPL | P06858 | 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 | |
|---|---|---|---|---|
| SCHEMBL18793776 | 0.86 | CFD (0.40) | NOS1NOS2GRIN2DGRIN3BGRIN1 | |
| Hydrochloric Acid SCHEMBL29676882 | 0.84 | CFD (0.40) | NOS1NOS2SIGMAR1CFDF11 | |
| Hydrochloric Acid SCHEMBL20720034 | 0.84 | CFD (0.40) | NOS1NOS2SIGMAR1CFDF11 | |
| Hydrochloric Acid SCHEMBL20720035 | 0.84 | CFD (0.40) | NOS1NOS2SIGMAR1CFDF11 | |
| SCHEMBL16951052 | 0.81 | CNR1 (0.39) | NOS1NOS2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL24324366 | 0.80 | TAAR1 (0.41) | NOS1NOS2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL10513077 | 0.79 | NOS1 (0.42) | NOS1NOS2ANPEPENPEP | |
| SCHEMBL27910194 | 0.78 | CNR1 (0.42) | NOS1NOS2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL29337598 | 0.78 | CFD (0.49) | CFDF11TPSB2 | |
| SCHEMBL3029503 | 0.77 | KDM4E (0.45) | NOS1NOS2GRIN2DGRIN3BGRIN1 |
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-6248573-B1 | SULFONYLATING OR HALOGENATING A (S)-1-PHENYL-2-PROPANOL DERIVATIVE TO PRODUCE (S)-1-PHENYL-2-SUBSTITUTED PROPANE DERIVATIVE; CHEMICAL INTERMEDIATE FOR SYNTHESIS OF ANTIOBESITY DRUG | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2001-06-19 | — | — | US | disclosed |