Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 7/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 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 | |
|---|---|---|---|---|
| SCHEMBL7404048 | 0.83 | ALDH1A1 (0.36) | HIF1ASMN1; SMN2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL7415167 | 0.81 | ALDH1A1 (0.34) | HIF1ASMN1; SMN2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL1006291 | 0.80 | TAAR1 (0.35) | HIF1ASMN1; SMN2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL1003836 | 0.80 | CYP11B1 (0.34) | HIF1ACYP2C19P2RX7SMN1; SMN2ALDH1A1 | |
| SCHEMBL9756933 | 0.78 | MEN1 (0.37) | HIF1AALDH1A1HPGDHSD17B10CYP1A2 | |
| SCHEMBL7437163 | 0.75 | ALDH1A1 (0.31) | HIF1AALDH1A1HPGDHSD17B10CYP1A2 | |
| SCHEMBL7434512 | 0.74 | ATP4A (0.32) | SMN1; SMN2ALDH1A1HPGDCYP1A2KDM4E | |
| SCHEMBL10439558 | 0.74 | CYP1A2 (0.44) | HIF1ACYP2C19P2RX7SMN1; SMN2ALDH1A1 | |
| SCHEMBL877589 | 0.73 | KDM4E (0.43) | HIF1ACYP2C19AKR1B1SMN1; SMN2PTGDR2 | |
| SCHEMBL5063081 | 0.73 | LTA4H (0.43) | SMN1; SMN2ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002022584-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-03-21 | — | — | WO | disclosed |