Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | QPCT | Q16769 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14234450 | 0.89 | IKBKB (0.66) | IKBKBCYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8918690 | 0.85 | IKBKB (0.64) | IKBKBCYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8917545 | 0.85 | IKBKB (0.80) | IKBKBCYP2C19CYP3A4CYP2D6CYP2C9 | |
| Chs-828 SCHEMBL810990 | 0.85 | IKBKB (0.80) | IKBKBCYP2C19CYP3A4CYP2D6CYP2C9 | |
| Chs-828 SCHEMBL16312347 | 0.85 | IKBKB (0.80) | IKBKBCYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8918236 | 0.85 | IKBKB (0.80) | IKBKBCYP2C19CYP3A4CYP2D6CYP2C9 | |
| Chs-828 SCHEMBL12083293 | 0.85 | IKBKB (0.80) | IKBKBCYP2C19CYP3A4CYP2D6CYP2C9 | |
| Chs-828 SCHEMBL7148798 | 0.85 | IKBKB (0.79) | IKBKBCYP2C19CYP3A4CYP2D6CYP2C9 | |
| Chs-828 SCHEMBL7142976 | 0.85 | IKBKB (0.79) | IKBKBCYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14212485 | 0.83 | IKBKB (0.61) | IKBKBCYP2C19CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5696140-A | FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER | LEO PHARMACEUTICAL PRODUCTS LTD. (DK) | 1997-12-09 | — | — | US | disclosed |