Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | GFRA3 | O60609 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28524204 | 1.00 | MEN1 (0.44) | MEN1RAB9AKMT2ATRPV1ACHE | |
| SCHEMBL31598495 | 1.00 | MEN1 (0.44) | MEN1RAB9AKMT2ATRPV1ACHE | |
| SCHEMBL14884989 | 0.90 | ACHE (0.43) | MEN1RAB9AKMT2AACHEALDH1A1 | |
| SCHEMBL3311055 | 0.90 | ACHE (0.43) | MEN1RAB9AKMT2AACHEALDH1A1 | |
| SCHEMBL10287024 | 0.90 | ACHE (0.43) | MEN1RAB9AKMT2AACHEALDH1A1 | |
| SCHEMBL31598496 | 0.89 | RAB9A (0.40) | MEN1RAB9AKMT2AACHEALDH1A1 | |
| SCHEMBL10286368 | 0.89 | RAB9A (0.40) | MEN1RAB9AKMT2AACHEALDH1A1 | |
| SCHEMBL11519752 | 0.74 | RAB9A (0.37) | MEN1RAB9AKMT2AALDH1A1ADORA1 | |
| SCHEMBL3311297 | 0.74 | IRAK4 (0.46) | MEN1RAB9AKMT2AALDH1A1MAP2K3 | |
| SCHEMBL11643241 | 0.73 | MEN1 (0.48) | MEN1RAB9AKMT2AALDH1A1MAP2K3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112521419-A | Method for preparing chiral nitrogen-phosphorus ligand L-8 containing pyridocyclopentane | 南京艾普特生物医药有限公司 | 2021-03-19 | — | — | CN | disclosed |
| CN-112521420-A | Method for synthesizing chiral nitrogen and phosphorus ligand L-8 containing pyridocycloheptane | 南京艾普特生物医药有限公司 | 2021-03-19 | — | — | CN | disclosed |
| CN-112375101-A | Method for preparing chiral nitrogen-phosphorus ligand L-8 containing pyridocyclohexane | 南京艾普特生物医药有限公司 | 2021-02-19 | — | — | CN | disclosed |