Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | GLB1 | P16278 | 1/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.41 |
| ▸ | CTRC | Q99895 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5609745 | 0.76 | ACHE (0.44) | NOS1CYP2A6SLC22A2SLC22A1SLC22A3 | |
| SCHEMBL1735291 | 0.74 | NOS3 (0.44) | NOS1CYP2A6SLC22A2SLC22A1SLC22A3 | |
| SCHEMBL8767212 | 0.74 | PLAU (0.52) | CYP2A6PLAUALDH1A1KDM4ETAAR1 | |
| SCHEMBL6385307 | 0.74 | NOS3 (0.44) | NOS1SLC22A2SLC22A1SLC22A3PLAU | |
| SCHEMBL98201 | 0.74 | NOS3 (0.45) | NOS1GLB1CTRB1CTRCALDH1A1 | |
| Propane SCHEMBL27739979 | 0.73 | CYP2A6 (0.67) | CYP2A6ALDH1A1ALOX15TAAR1MAPK1 | |
| SCHEMBL53706 | 0.72 | — | — | |
| SCHEMBL3571823 | 0.70 | CA1 (0.52) | NOS1ALDH1A1KDM4EMAPK1MAPT | |
| SCHEMBL1547952 | 0.69 | — | — | |
| SCHEMBL19227702 | 0.69 | GLB1 (0.52) | NOS1PLAUGLB1CTRB1CTRC |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4119777-A | BY OXIDATION OF A THIOAMIDE DERIVATIVE | FUJI PHOTO FILM CO., LTD. (JP) | 1978-10-10 | — | — | US | claimed |
| EP-1948649-A2 | FUNGICIDAL CARBOXAMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007014290-A2 | FUNGICIDAL CARBOXAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-02-01 | — | — | WO | disclosed |