Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.59 |
| ▸ | PDE2A | O00408 | 2/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL7575723 | 0.87 | TAAR1 (0.55) | KIF11PDE2ACYP19A1CYP2A6VNN1 | |
| SCHEMBL7575719 | 0.86 | KIF11 (0.45) | KIF11PDE2ACYP19A1CYP3A4CYP3A5 | |
| SCHEMBL12230784 | 0.86 | KIF11 (0.63) | KIF11PDE2ACYP19A1CYP3A4CYP3A5 | |
| SCHEMBL12230783 | 0.86 | KIF11 (0.63) | KIF11PDE2ACYP19A1CYP3A4CYP3A5 | |
| SCHEMBL12230279 | 0.86 | KIF11 (0.63) | KIF11PDE2ACYP19A1CYP3A4CYP3A5 | |
| SCHEMBL268077 | 0.85 | PDE2A (0.67) | KIF11PDE2AADRB2ALDH1A1 | |
| SCHEMBL701658 | 0.85 | PDE2A (0.67) | KIF11PDE2AADRB2ALDH1A1 | |
| SCHEMBL335039 | 0.85 | PDE2A (0.67) | KIF11PDE2AADRB2ALDH1A1 | |
| SCHEMBL320272 | 0.85 | ADRB2 (0.50) | PDE2ACYP19A1CYP3A4ADRB2ALDH1A1 | |
| SCHEMBL319930 | 0.85 | ADRB2 (0.50) | PDE2ACYP19A1CYP3A4ADRB2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1144397-A3 | HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP | Wyeth (US) | 2002-09-11 | — | — | EP | disclosed |
| EP-1144397-A2 | HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000034258-A2 | HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |