Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK3 | P07288 | 1/20 | 0.47 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 2/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | BAZ2B | Q9UIF8 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15048605 | 0.86 | KLK3 (0.44) | KLK3SQORPDE10AL3MBTL1ALDH1A1 | |
| SCHEMBL15048603 | 0.85 | PDE10A (0.45) | KLK3SQORPDE10AL3MBTL1KDM4E | |
| SCHEMBL15048542 | 0.83 | KLK3 (0.46) | KLK3SQORPDE10AALDH1A1KDM4E | |
| SCHEMBL15048610 | 0.83 | PDE10A (0.44) | KLK3SQORPDE10AL3MBTL1ALDH1A1 | |
| SCHEMBL15048499 | 0.81 | GRN (0.46) | KLK3PDE10AL3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL15048601 | 0.81 | KLK3 (0.46) | KLK3PDE10AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL15048531 | 0.81 | ALDH1A1 (0.44) | KLK3PDE10AALDH1A1KDM4ELMNA | |
| SCHEMBL15048523 | 0.80 | KLK3 (0.43) | KLK3SQORPDE10AALDH1A1HPGD | |
| SCHEMBL15048551 | 0.79 | KLK3 (0.48) | KLK3SQORPDE10AL3MBTL1ALDH1A1 | |
| SCHEMBL15048509 | 0.79 | SMN1; SMN2 (0.48) | KLK3PDE10ASMN1; SMN2KDM4EF2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | claimed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | claimed |
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | disclosed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | disclosed |