Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ACR | P10323 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL28292566 | 0.82 | MAOB (0.49) | MMP13L3MBTL1CNR1MAOBMAPT | |
| SCHEMBL28941005 | 0.81 | SCN9A (0.38) | MAOB | |
| SCHEMBL28940917 | 0.78 | CFTR (0.38) | KDM4EALDH1A1HSD17B10CNR1ACR | |
| SCHEMBL28940978 | 0.78 | SCN9A (0.39) | — | |
| SCHEMBL28941110 | 0.78 | CFTR (0.38) | KDM4EALDH1A1HSD17B10CNR1ACR | |
| SCHEMBL28940975 | 0.77 | MEN1 (0.37) | MMP13SMN1; SMN2MEN1KMT2AHPGD | |
| SCHEMBL19145297 | 0.76 | CNR1 (0.51) | MMP13KDM4EALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL15228258 | 0.75 | KDM4E (0.42) | KDM4EALDH1A1HSD17B10L3MBTL1CNR1 | |
| SCHEMBL28292621 | 0.75 | BRAF (0.46) | MMP13KDM4EALDH1A1MAPTCASP1 | |
| SCHEMBL28816899 | 0.74 | KMT2A (0.43) | ALDH1A1SMN1; SMN2MEN1KMT2A |
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-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | claimed |
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |