Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBTD1 | Q05BQ5 | 3/20 | 0.40 |
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.31 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.30 |
| ▸ | APLNR | P35414 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9142378 | 1.00 | MBTD1 (0.40) | MBTD1L3MBTL3L3MBTL1NOS2NOS3 | |
| SCHEMBL26123900 | 0.93 | MBTD1 (0.35) | MBTD1L3MBTL3 | |
| SCHEMBL4072268 | 0.91 | MBTD1 (0.36) | MBTD1L3MBTL3L3MBTL1NOS2SLC6A1 | |
| SCHEMBL4129266 | 0.91 | MBTD1 (0.36) | MBTD1L3MBTL3NOS2NOS3NOS1 | |
| SCHEMBL10594 | 0.91 | EPAS1 (0.33) | MBTD1L3MBTL3NOS2NOS3NOS1 | |
| SCHEMBL13351747 | 0.91 | MBTD1 (0.36) | MBTD1L3MBTL3NOS2NOS3NOS1 | |
| Hydrochloric Acid SCHEMBL28169201 | 0.88 | EPAS1 (0.32) | MBTD1L3MBTL3NOS2NOS3NOS1 | |
| SCHEMBL5680966 | 0.86 | EPAS1 (0.35) | MBTD1L3MBTL3NOS2SLC6A1SLC6A11 | |
| SCHEMBL474458 | 0.85 | — | — | |
| SCHEMBL20758469 | 0.85 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023119210-A1 | NOVEL COMPOUND AS RIPK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | 제일약품주식회사 | 2023-06-29 | — | — | WO | disclosed |
| CN-105294681-A | CDK small-molecule inhibitor compounds and application therefore | GUANGDONG HEC PHARMACEUTICAL | 2016-02-03 | — | — | CN | disclosed |
| US-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |
| US-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |
| US-20110202328-A1 | System for the determination of selective absorbent molecules through predictive correlations | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2011-08-18 | — | — | US | disclosed |