Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | XDH | P47989 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHAT | P28329 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17685014 | 0.80 | CYP1A2 (0.37) | CYP1A2XDHEGFRPIM1PIM2 | |
| SCHEMBL13504044 | 0.79 | CYP1A2 (0.49) | CYP1A2XDHEGFRPIM1PIM2 | |
| SCHEMBL17685015 | 0.76 | CYP1A2 (0.39) | CYP1A2XDHEGFRPIM1PIM2 | |
| SCHEMBL17684217 | 0.76 | CYP1A2 (0.49) | CYP1A2XDHEGFRPIM1PIM2 | |
| SCHEMBL13504055 | 0.75 | CYP1A2 (0.45) | CYP1A2XDHEGFRPIM1PIM2 | |
| SCHEMBL17684500 | 0.73 | CYP1A2 (0.61) | CYP1A2XDHEGFRPIM1PIM2 | |
| SCHEMBL27580829 | 0.69 | CYP1A2 (0.51) | CYP1A2XDHEGFRPIM1PIM2 | |
| Hydrochloric Acid SCHEMBL6293547 | 0.68 | CYP1A2 (0.50) | CYP1A2XDHEGFRPIM1PIM2 | |
| SCHEMBL17684650 | 0.67 | CYP1A2 (0.49) | CYP1A2XDHEGFRPIM1PIM2 | |
| SCHEMBL13503972 | 0.62 | NPC1 (0.51) | EGFRPIM1PIM2RELACHRM5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3009421-A1 | GLYCINE TRANSPORTER INHIBITOR | Taisho Pharmaceutical Co., Ltd. (JP) | 2016-04-20 | — | — | EP | disclosed |