Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL455996 | 0.74 | CYP2A6 (0.38) | CYP2A6TP53CYP1A2 | |
| SCHEMBL15064019 | 0.71 | — | — | |
| SCHEMBL10691257 | 0.70 | — | — | |
| SCHEMBL456470 | 0.69 | TP53 (0.34) | CYP2A6TP53ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL6286439 | 0.67 | TP53 (0.36) | TP53ALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL457028 | 0.67 | MAPT (0.38) | TP53CYP1A2ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL457978 | 0.67 | TP53 (0.32) | TP53CYP1A2MEN1HPGDKMT2A | |
| SCHEMBL454501 | 0.67 | TP53 (0.32) | TP53 | |
| SCHEMBL457102 | 0.67 | ALDH1A1 (0.38) | TP53ALDH1A1 | |
| SCHEMBL509959 | 0.67 | CYP1A2 (0.35) | TP53CYP1A2MEN1ALDH1A1HPGD |
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-2008156831-A2 | RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2008-12-24 | — | — | WO | disclosed |