Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12028418 | 0.79 | TP53 (0.42) | IDO1HTR2AALDH1A1 | |
| SCHEMBL3483437 | 0.78 | IDO1 (0.48) | IDO1AGXTKDM4ESMN1; SMN2DAO | |
| SCHEMBL14613820 | 0.78 | IDO1 (0.48) | IDO1AGXTKDM4ESMN1; SMN2DAO | |
| SCHEMBL1647830 | 0.78 | IDO1 (0.44) | IDO1AGXTKDM4ESMN1; SMN2DAO | |
| SCHEMBL15978572 | 0.75 | IDO1 (0.50) | IDO1AGXTKDM4ESMN1; SMN2DAO | |
| SCHEMBL26699678 | 0.75 | — | — | |
| SCHEMBL518007 | 0.75 | IDO1 (0.54) | IDO1AGXTKDM4ESMN1; SMN2DAO | |
| SCHEMBL469184 | 0.75 | IDO1 (0.54) | IDO1AGXTKDM4ESMN1; SMN2DAO | |
| SCHEMBL7700904 | 0.74 | IDO1 (0.58) | IDO1AGXTKDM4ESMN1; SMN2DAO | |
| SCHEMBL3298107 | 0.74 | IDO1 (0.58) | IDO1AGXTKDM4ESMN1; SMN2DAO |
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 |
|---|---|---|---|---|---|---|---|
| EP-2721023-B1 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS NC INC (US) | 2018-08-08 | — | — | EP | disclosed |