Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 10/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28995606 | 0.88 | AAK1 (0.40) | AAK1SCN9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28995565 | 0.83 | SCN9A (0.38) | AAK1SCN9ACNR2SCN5A | |
| SCHEMBL28995564 | 0.83 | SCN9A (0.38) | AAK1SCN9ACNR2SCN5A | |
| SCHEMBL28995694 | 0.83 | SCN9A (0.47) | AAK1SCN9A | |
| SCHEMBL28995642 | 0.80 | SCN9A (0.41) | AAK1SCN9A | |
| SCHEMBL28995562 | 0.80 | AAK1 (0.37) | AAK1SCN9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28995634 | 0.78 | AAK1 (0.38) | AAK1SCN9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL25807450 | 0.76 | AAK1 (0.61) | AAK1SCN9AMAPK1 | |
| SCHEMBL28995762 | 0.76 | AAK1 (0.35) | AAK1SCN9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28487537 | 0.75 | AAK1 (0.62) | AAK1NPC1ALDH1A1MAPK1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-115916790-A | Pyrido [2,3-b ] [1,4] oxazines or tetrahydropyrido [2,3-b ] [1,4] oxazepines as IAP antagonists | 百济神州有限公司 | 2023-04-04 | — | — | CN | disclosed |