Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL10805702 | 0.77 | LOXL2 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5284766 | 0.77 | LOXL2 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL23033187 | 0.77 | LOXL2 (0.47) | ALDH1A1HSD17B10LOXL2 | |
| SCHEMBL1060278 | 0.76 | MAOB (0.59) | ALDH1A1TDP1 | |
| SCHEMBL5665711 | 0.76 | MAOB (0.59) | ALDH1A1TDP1 | |
| SCHEMBL265957 | 0.76 | MAOB (0.59) | ALDH1A1TDP1 | |
| SCHEMBL6472216 | 0.75 | USP2 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7449249 | 0.74 | CYP3A4 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7349692 | 0.74 | CYP3A4 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL467699 | 0.74 | ESR1 (0.46) | ALDH1A1CYP3A4CYP2C19HSD17B10TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-62010065-A | — | — | None | — | — | JP | disclosed |
| WO-2009012375-A2 | SQUARATE KINASE INHIBITORS | WYETH (US) | 2009-01-22 | — | — | WO | disclosed |
| JP-S6210065-A | PRODUCTION OF 4-ACYLAMINOPYRIDINE | KYOWA HAKKO KOGYO CO LTD | 1987-01-19 | — | — | JP | disclosed |