Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.65 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.65 |
| ▸ | ANPEP | P15144 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.54 |
| ▸ | CASR | P41180 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL11583631 | 0.85 | SMN1; SMN2 (0.58) | MAPK1SMN1; SMN2RAB9AKDM4EMEN1 | |
| SCHEMBL11580663 | 0.82 | NPC1 (0.67) | TAS1R3TAS1R1ANPEPMAPK1SMN1; SMN2 | |
| SCHEMBL10458447 | 0.81 | KDM4E (0.72) | MAPK1SMN1; SMN2CYP1A2NPC1RAB9A | |
| Benzene SCHEMBL11580764 | 0.81 | ANPEP (0.61) | ANPEPSMN1; SMN2NPC1RAB9APOLB | |
| SCHEMBL8006420 | 0.80 | MDM4 (0.65) | TAS1R3TAS1R1ANPEPSMN1; SMN2CYP1A2 | |
| SCHEMBL700757 | 0.79 | TAS1R3 (1.00) | TAS1R3TAS1R1ANPEPSMN1; SMN2CYP1A2 | |
| SCHEMBL11337232 | 0.79 | CFD (0.55) | SMN1; SMN2NPC1RAB9AKDM4EMEN1 | |
| SCHEMBL2712814 | 0.79 | KCNQ2 (0.59) | TAS1R3TAS1R1ANPEPMAPK1SMN1; SMN2 | |
| SCHEMBL6348906 | 0.79 | KCNQ2 (0.58) | TAS1R3TAS1R1ANPEPMAPK1SMN1; SMN2 | |
| SCHEMBL11856297 | 0.79 | ANPEP (0.63) | ANPEPNPC1RAB9APOLBMAPT |
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-4078913-A | Herbicidal 3-(2-phenylisopropyl)urea derivatives | S.D.S. BIOTECH KABUSHIKI KAISHA, | 1978-03-14 | — | — | US | disclosed |