Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14074220 | 0.91 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2MEN1KMT2AGABRA1 | |
| SCHEMBL12653139 | 0.89 | MTNR1A (0.36) | ALDH1A1SMN1; SMN2MEN1KMT2AGABRA1 | |
| SCHEMBL54971 | 0.89 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2MEN1KMT2AGABRA1 | |
| SCHEMBL19316391 | 0.82 | GABRA1 (0.44) | ALDH1A1SMN1; SMN2MEN1KMT2AGABRA1 | |
| SCHEMBL2279943 | 0.82 | PARP1 (0.45) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPKAPK2 | |
| SCHEMBL13188690 | 0.80 | NR1I2 (0.51) | ALDH1A1SMN1; SMN2MEN1KMT2ATRPV1 | |
| SCHEMBL2907936 | 0.80 | HTR2A (0.44) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL12620167 | 0.79 | HTR2A (0.37) | SMN1; SMN2GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL12620158 | 0.79 | HTR2A (0.37) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL10293516 | 0.79 | GABRA1 (0.43) | ALDH1A1SMN1; SMN2MEN1KMT2AGABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7456166-B2 | Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-25 | — | — | US | disclosed |