Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | GPR3 | P46089 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | CTSG | P08311 | 1/20 | 0.37 |
| ▸ | CMA1 | P23946 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL27664681 | 0.82 | TSHR (0.56) | TSHRMAPTSLC22A12EPAS1MAOA | |
| Benzonitrile SCHEMBL6899297 | 0.81 | TSHR (0.67) | TSHRMAPTCA12CA1CA2 | |
| Benzonitrile SCHEMBL4710240 | 0.81 | TSHR (0.67) | TSHRMAPTCA12CA1CA2 | |
| Biphenyl SCHEMBL31361248 | 0.77 | PTPN1 (0.56) | GPR3MAPTCA12CA1CA2 | |
| Trifluoromethanesulfonic Acid SCHEMBL6923668 | 0.77 | GPR3 (0.53) | TSHRGPR3CA1CA2CA9 | |
| Trifluoromethanesulfonic Acid SCHEMBL31720736 | 0.75 | SLC22A12 (0.36) | GPR3MAPTSLC22A12CA12CA1 | |
| Benzonitrile SCHEMBL7635221 | 0.74 | TSHR (0.70) | TSHRMAPTCA12CA1CA2 | |
| Benzonitrile SCHEMBL12469615 | 0.74 | TSHR (0.70) | TSHRMAPTCA12CA1CA2 | |
| Benzonitrile SCHEMBL65862 | 0.74 | TSHR (0.70) | TSHRMAPTCA12CA1CA2 | |
| Benzonitrile SCHEMBL28806619 | 0.74 | TSHR (0.70) | TSHRMAPTCA12CA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4130590-A | FROM CONJUGATED DIENES AND AMMONIA OR AN AMINE, PALLADIUM COMPOUND-PHOSPHONITE CATALYST | MONSANTO COMPANY (US) | 1978-12-19 | — | — | US | claimed |
| US-4130590-A | FROM CONJUGATED DIENES AND AMMONIA OR AN AMINE, PALLADIUM COMPOUND-PHOSPHONITE CATALYST | MONSANTO COMPANY (US) | 1978-12-19 | — | — | US | disclosed |
| US-4100196-A | AMINATION OF CONJUGATED DIENES IN A HYDROXYLIC SOLVENT AND PALLADIUM CATALYST | MONSANTO COMPANY (US) | 1978-07-11 | — | — | US | disclosed |
| US-4100194-A | REACTIONNOF CONJUGATED DIENES WITH AMMONIA AND AMINES IN HYDROXYLIC SOLVENT | MONSANTO COMPANY (US) | 1978-07-11 | — | — | US | disclosed |