Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | GPR52 | Q9Y2T5 | 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 | |
|---|---|---|---|---|
| Phenylethyl Alcohol SCHEMBL28016810 | 0.87 | TDP1 (0.48) | SMN1; SMN2ALDH1A1KDM4EHDAC8PARK7 | |
| SCHEMBL28006956 | 0.83 | RARB (0.59) | ALDH1A1 | |
| Benzene SCHEMBL27546363 | 0.82 | KDM4E (0.55) | SMN1; SMN2ALDH1A1KDM4ETSHRNR1H4 | |
| SCHEMBL28826878 | 0.82 | GPR52 (0.47) | SMN1; SMN2ALDH1A1KDM4EHDAC8PARK7 | |
| SCHEMBL11446707 | 0.81 | BACE1 (0.46) | CYP2A6TAAR1ALDH1A1KDM4ERECQL | |
| Methylamine SCHEMBL28142119 | 0.81 | TSHR (0.50) | SMN1; SMN2ALDH1A1KDM4ETSHRNR1H4 | |
| Hydrazine SCHEMBL27583040 | 0.81 | TSHR (0.50) | SMN1; SMN2ALDH1A1KDM4ETSHRNR1H4 | |
| SCHEMBL69633 | 0.80 | TSHR (0.53) | SMN1; SMN2ALDH1A1KDM4EL3MBTL1TSHR | |
| Naphthalene SCHEMBL27919119 | 0.80 | ALDH1A1 (0.50) | ALDH1A1KDM4ETSHRNR1H4 | |
| Aniline SCHEMBL27644856 | 0.80 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1KDM4EL3MBTL1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-1234681-C | Amino acid derivatives and their use as pesticides | BAYER AG (DE) | 2006-01-04 | — | — | CN | disclosed |
| CN-1450051-A | Amino acid derivatives and their use as pesticides | BAYER AG (DE) | 2003-10-22 | — | — | CN | disclosed |
| CN-1122021-C | Amino acid derivatives and their pesticidal use | BAYER AG (DE) | 2003-09-24 | — | — | CN | disclosed |
| CN-1151727-A | Amino acid derivatives and their pesticidal use | BAYER AG (DE) | 1997-06-11 | — | — | CN | disclosed |