Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL27812449 | 0.85 | F2 (0.37) | SMN1; SMN2KDM4EALDH1A1MAPTALPL | |
| SCHEMBL27554661 | 0.84 | ALDH1A1 (0.40) | SMN1; SMN2KDM4EMEN1KMT2ACYP1A2 | |
| SCHEMBL27574459 | 0.83 | L3MBTL1 (0.49) | KDM4EMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL27571702 | 0.83 | IDO1 (0.44) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27669343 | 0.82 | SMN1; SMN2 (0.39) | SMN1; SMN2KDM4EMEN1KMT2ACYP1A2 | |
| SCHEMBL27669479 | 0.81 | L3MBTL1 (0.38) | SMN1; SMN2MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL27924718 | 0.81 | HTT (0.44) | SMN1; SMN2KDM4EMEN1KMT2ACYP1A2 | |
| SCHEMBL27689604 | 0.81 | ALDH1A1 (0.51) | SMN1; SMN2KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL27629113 | 0.81 | KMT2A (0.50) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27820507 | 0.80 | ALDH1A1 (0.52) | SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101243070-A | Thrombin inhibiting 2, 4-dioxo-3, 4-dihydropyrimidine derivatives | ASTRAZENECA AB (SE) | 2008-08-13 | — | — | CN | disclosed |
| CN-1918124-A | New pyridin-2-one compounds useful as inhibitors of thrombin | ASTRAZENECA AB (SE) | 2007-02-21 | — | — | CN | disclosed |
| CN-1894214-A | New 5,6-dihydropyrin-2-one compounds useful as inhibitors of thrombin | ASTRAZENECA AB (SE) | 2007-01-10 | — | — | CN | disclosed |
| WO-2002057225-A2 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-07-25 | — | — | WO | disclosed |