Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL10519951 | 0.92 | BRD4 (0.42) | BRD4TSHRNR1H2GAAHSD17B10 | |
| SCHEMBL27324700 | 0.92 | BRD4 (0.42) | BRD4TSHRNR1H2GAAHSD17B10 | |
| SCHEMBL3326503 | 0.87 | BRD4 (0.39) | BRD4TSHREPHX2CYP3A4KDM4E | |
| SCHEMBL27840927 | 0.85 | CYP3A4 (0.44) | BRD4TSHRCYP3A4KDM4EALDH1A1 | |
| SCHEMBL14235507 | 0.83 | BRD4 (0.42) | BRD4TSHRNR1H2GAAHSD17B10 | |
| SCHEMBL22387487 | 0.82 | CHRNB2 (0.53) | BRD4TSHRNR1H2GAAHSD17B10 | |
| SCHEMBL22270686 | 0.82 | CHRNB2 (0.53) | BRD4TSHRNR1H2GAAHSD17B10 | |
| SCHEMBL29030976 | 0.82 | CHRNB2 (0.53) | BRD4TSHRNR1H2GAAHSD17B10 | |
| SCHEMBL24197361 | 0.81 | BRD4 (0.50) | BRD4TSHRGAAHSD17B10MGAM | |
| SCHEMBL2036054 | 0.81 | — | — |
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-1506955-B1 | Bicyclic amino acids as pharmaceuticals agents | WARNER LAMBERT CO (US) | 2007-03-28 | — | — | EP | disclosed |