Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4706996 | 0.83 | ALDH1A1 (0.36) | ALDH1A1RAB9AKMT2ALMNAKDM4E | |
| SCHEMBL974627 | 0.81 | BACE1 (0.37) | ADRB2ADRB1ADRB3CES1ALDH1A1 | |
| SCHEMBL8017463 | 0.79 | ERCC5 (0.44) | ADRB2ADRB1ADRB3CES2CES1 | |
| SCHEMBL28100608 | 0.74 | CES2 (0.48) | CES2CES1ERCC5FEN1ALDH1A1 | |
| SCHEMBL20089301 | 0.73 | DGAT1 (0.30) | — | |
| SCHEMBL19520131 | 0.73 | KDM4E (0.34) | ALDH1A1POLBKMT2AHTTKDM4E | |
| SCHEMBL4708420 | 0.72 | CES2 (0.41) | ADRB2ADRB1ADRB3CES2CES1 | |
| SCHEMBL7402519 | 0.72 | NPSR1 (0.35) | ALDH1A1POLBRAB9AKMT2AHTT | |
| SCHEMBL10717928 | 0.71 | ERCC5 (0.44) | CES2CES1ERCC5FEN1ALDH1A1 | |
| SCHEMBL11033388 | 0.70 | CES2 (0.48) | CES2CES1ERCC5FEN1ALDH1A1 |
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-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |