Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP2A13 | Q16696 | 6/20 | 0.47 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL159991 | 0.98 | ALDH1A1 (0.53) | ALDH1A1KMT2AMEN1CYP2A13CXCR4 | |
| SCHEMBL27801843 | 0.92 | CYP2A13 (0.47) | ALDH1A1KMT2AMEN1CYP2A13CXCR4 | |
| SCHEMBL1741859 | 0.83 | SIGMAR1 (0.56) | ALDH1A1KMT2AMEN1HTTMAPT | |
| SCHEMBL5380547 | 0.82 | ALDH1A1 (0.39) | ALDH1A1HRH3SIGMAR1CYP2D6CYP2C19 | |
| SCHEMBL844945 | 0.82 | HRH3 (0.43) | ALDH1A1HTTHRH3MAPTSIGMAR1 | |
| SCHEMBL844842 | 0.80 | HRH3 (0.47) | ALDH1A1HTTHRH3POLBSIGMAR1 | |
| SCHEMBL16720461 | 0.78 | DRD4 (0.59) | ALDH1A1HTTSIGMAR1CYP2D6KDM4E | |
| SCHEMBL1449845 | 0.77 | MC4R (0.55) | ALDH1A1POLBSIGMAR1KDM4E | |
| SCHEMBL759018 | 0.77 | SIGMAR1 (0.55) | ALDH1A1KMT2AMEN1CXCR4HRH3 | |
| SCHEMBL7388610 | 0.76 | CYP3A4 (0.54) | ALDH1A1KMT2AMEN1CYP2A13HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101228180-B | Tripeptides as hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO | 2011-03-09 | — | — | CN | disclosed |
| CN-101228180-A | Tripeptides as hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2008-07-23 | — | — | CN | disclosed |