Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ITGB2 | P05107 | 4/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 4/20 | 0.35 |
| ▸ | ITGAL | P20701 | 4/20 | 0.35 |
| ▸ | MELK | Q14680 | 2/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.34 |
| ▸ | CYP8B1 | Q9UNU6 | 5/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5851864 | 0.88 | CYP3A4 (0.38) | CYP3A4HPGDITGB2ICAM1ITGAL | |
| SCHEMBL3848141 | 0.87 | CYP3A4 (0.50) | CYP3A4HPGDITGB2ICAM1ITGAL | |
| SCHEMBL3845276 | 0.83 | CYP3A4 (0.37) | CYP3A4HPGDCYP8B1LMNAKMT2A | |
| SCHEMBL3848728 | 0.81 | CHRM4 (0.39) | CYP3A4HPGDCYP8B1MTORKMT2A | |
| SCHEMBL3852739 | 0.81 | CHRM4 (0.43) | CYP3A4HPGDCYP8B1 | |
| SCHEMBL3845503 | 0.80 | CYP3A4 (0.40) | CYP3A4HPGDLMNAPKMMTOR | |
| SCHEMBL3855550 | 0.80 | CYP3A4 (0.37) | CYP3A4HPGDITGB2ICAM1ITGAL | |
| SCHEMBL3846231 | 0.80 | MAPKAPK2 (0.46) | CYP3A4HPGDLMNAKMT2A | |
| SCHEMBL3850111 | 0.79 | MTOR (0.39) | MTORKMT2A | |
| SCHEMBL3846799 | 0.79 | MTOR (0.40) | CYP3A4HPGDSLC22A12CYP8B1MTOR |
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-7074801-B1 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | EISAI CO., LTD. (JP) | 2006-07-11 | — | — | US | disclosed |