Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | ALPL | P05186 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | P2RX3 | P56373 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KDM5A | P29375 | 1/20 | 0.42 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26961945 | 1.00 | ATM (0.50) | ATMALPLDRD2TBXA2RMAPT | |
| SCHEMBL16881118 | 0.86 | LOXL2 (0.59) | ATMMAPTALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL23120562 | 0.85 | ATM (0.53) | ATMALDH1A1LMNARAB9ANPC1 | |
| SCHEMBL16880649 | 0.82 | KMT2A (0.47) | ATMMAPTKMT2AALDH1A1RAB9A | |
| SCHEMBL7411710 | 0.81 | NPC1 (0.60) | DRD2TBXA2RMAPTMEN1KMT2A | |
| SCHEMBL16881124 | 0.81 | ATM (0.46) | ATMALDH1A1RAB9ACYP11B1CYP11B2 | |
| SCHEMBL16880735 | 0.81 | KLKB1 (0.48) | ATMALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL16880998 | 0.80 | SMN1; SMN2 (0.51) | ATMMAPTKMT2AALDH1A1LMNA | |
| SCHEMBL16881389 | 0.80 | ATM (0.44) | ATMMAPTALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL16881141 | 0.80 | ATM (0.44) | ATMMAPTMEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | disclosed |