Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.44 |
| ▸ | TMEM97 | Q5BJF2 | 5/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL20612947 | 0.88 | CYP1A2 (0.44) | CYP2D6CYP3A4HIF1ASIGMAR1TMEM97 | |
| SCHEMBL19404939 | 0.85 | RAB9A (0.42) | CYP2D6CYP3A4HIF1ASIGMAR1TMEM97 | |
| SCHEMBL19404570 | 0.85 | VDR (0.41) | SIGMAR1TMEM97ADRA2AADRA2BADRA2C | |
| SCHEMBL21865868 | 0.85 | CYP1A2 (0.55) | CYP2D6CYP3A4HIF1ASIGMAR1CYP1A2 | |
| SCHEMBL19404393 | 0.82 | SIGMAR1 (0.43) | CYP2D6CYP3A4HIF1ASIGMAR1TMEM97 | |
| SCHEMBL28677044 | 0.80 | CYP1A2 (0.62) | CYP2D6CYP3A4HIF1ASIGMAR1ADRA2A | |
| SCHEMBL19404402 | 0.79 | CYP3A4 (0.35) | CYP2D6CYP3A4HIF1ASIGMAR1TMEM97 | |
| SCHEMBL12451410 | 0.78 | CYP1A2 (0.51) | CYP2D6CYP3A4HIF1ASIGMAR1CYP1A2 | |
| SCHEMBL15358745 | 0.78 | NPC1 (0.47) | SIGMAR1TMEM97ADRA2AADRA2BADRA2C | |
| SCHEMBL40406 | 0.78 | NPC1 (0.47) | SIGMAR1TMEM97ADRA2AADRA2BADRA2C |
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-2017164260-A1 | BENZOXAZINE COMPOUND, METHOD FOR PRODUCING SAME, AND BENZOXAZINE RESIN | 学校法人近畿大学 | 2017-09-28 | — | — | WO | disclosed |