Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.31 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | VEGFA | P15692 | 1/20 | 0.30 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.30 |
| ▸ | MPO | P05164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5556169 | 0.87 | CYP1A2 (0.44) | CYP1A2CYP2C19PSEN1PSEN2APH1B | |
| SCHEMBL5562173 | 0.86 | EPAS1 (0.34) | CYP1A2POLBCYP2C19CARM1PRMT6 | |
| SCHEMBL5560864 | 0.84 | CYP1A2 (0.31) | CYP1A2POLBCYP2C19MAPTCARM1 | |
| SCHEMBL5555939 | 0.84 | CYP1A2 (0.32) | CYP1A2POLBCYP2C19PSEN1PSEN2 | |
| SCHEMBL5560810 | 0.83 | EPAS1 (0.36) | CYP1A2POLBCYP2C19VEGFAEPAS1 | |
| SCHEMBL5560691 | 0.83 | CARM1 (0.34) | CYP1A2POLBCYP2C19MAPTCARM1 | |
| SCHEMBL14454017 | 0.82 | MAPT (0.33) | CYP1A2POLBCYP2C19MAPTCARM1 | |
| SCHEMBL14471401 | 0.82 | CYP1A2 (0.39) | CYP1A2CYP2C19CDK4CCND1MAPT | |
| SCHEMBL5555986 | 0.81 | GCGR (0.31) | — | |
| SCHEMBL14453977 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1597235-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-08-15 | — | — | EP | disclosed |
| US-7241794-B2 | Nonnucleoside reverse transcriptase inhibitors | ROCHEPALO ALTO LLC (US) | 2007-07-10 | — | — | US | disclosed |
| US-7241794-B2 | Nonnucleoside reverse transcriptase inhibitors | ROCHEPALO ALTO LLC (US) | 2007-07-10 | — | — | US | disclosed |