Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | KCNA3 | P22001 | 9/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11121530 | 0.95 | CYP3A4 (0.44) | CYP3A4KCNA3PTPN1KDM4EPKM | |
| SCHEMBL29745831 | 0.81 | CYP3A4 (0.46) | CYP3A4KCNA3NPSR1 | |
| SCHEMBL28720506 | 0.79 | CYP3A4 (0.40) | CYP3A4KCNA3PTPN1KDM4EPKM | |
| SCHEMBL684711 | 0.79 | KCNA3 (0.49) | CYP3A4KCNA3 | |
| SCHEMBL9752628 | 0.78 | CYP3A4 (0.52) | CYP3A4KCNA3USP2MAPK1SMN1; SMN2 | |
| SCHEMBL21931371 | 0.78 | CYP3A4 (0.47) | CYP3A4KCNA3USP2MAPK1SMN1; SMN2 | |
| SCHEMBL2045227 | 0.76 | CYP3A4 (0.50) | CYP3A4KCNA3PKMUSP2MAPK1 | |
| SCHEMBL11106706 | 0.75 | CYP3A4 (0.48) | CYP3A4KCNA3PKMUSP2MAPK1 | |
| SCHEMBL12409064 | 0.73 | CYP3A4 (0.43) | CYP3A4KCNA3PKMCYP1A2USP2 | |
| SCHEMBL16666701 | 0.73 | CYP3A4 (0.52) | CYP3A4KCNA3USP2MAPK1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991009595-A1 | ANTI-VIRAL COMPOSITIONS | SMITHKLINE BEECHAM CORPORATION (US) | 1991-07-11 | — | — | WO | disclosed |