Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7447820 | 0.75 | SMN1; SMN2 (0.49) | SMN1; SMN2ALDH1A1MAPK1KMT2ATDP1 | |
| SCHEMBL29041376 | 0.74 | ALDH1A1 (0.51) | ALDH1A1KMT2ATDP1KDM4ELMNA | |
| SCHEMBL17971178 | 0.72 | KMT2A (0.55) | SMN1; SMN2ALDH1A1MAPK1KMT2ATDP1 | |
| SCHEMBL10515631 | 0.71 | DPP4 (0.43) | SMN1; SMN2ALDH1A1MAPK1TSHRDPP4 | |
| SCHEMBL27462821 | 0.71 | DPP4 (0.43) | SMN1; SMN2ALDH1A1KDM4EDPP4RECQL | |
| SCHEMBL11652255 | 0.69 | ALDH1A1 (0.49) | SMN1; SMN2ALDH1A1MAPK1TDP1KDM4E | |
| SCHEMBL23830303 | 0.69 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1MAPK1KDM4EHSD17B10 | |
| SCHEMBL10132016 | 0.69 | DPP4 (0.44) | SMN1; SMN2ALDH1A1TDP1KDM4ETSHR | |
| SCHEMBL6985352 | 0.69 | MAPK1 (0.51) | SMN1; SMN2ALDH1A1MAPK1KMT2ATDP1 | |
| SCHEMBL10132043 | 0.69 | AGBL2 (0.50) | SMN1; SMN2ALDH1A1KDM4ELMNADPP4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1017393-A4 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-01-23 | — | — | EP | disclosed |
| EP-1017393-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2000-07-12 | — | — | EP | disclosed |
| WO-1999011267-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1999-03-11 | — | — | WO | disclosed |