Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 13/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7404050 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL8309473 | 0.71 | KDM4E (0.33) | SMN1; SMN2 | |
| SCHEMBL7537360 | 0.71 | ERN1 (0.33) | SMN1; SMN2 | |
| SCHEMBL7396761 | 0.68 | SGK1 (0.34) | KIF11 | |
| SCHEMBL10895376 | 0.68 | P2RX3 (0.39) | SMN1; SMN2 | |
| SCHEMBL10895925 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL7782729 | 0.66 | HDAC3 (0.38) | SMN1; SMN2 | |
| SCHEMBL5738210 | 0.63 | ADORA2A (0.32) | — | |
| SCHEMBL4028445 | 0.63 | NPSR1 (0.61) | SMN1; SMN2 | |
| SCHEMBL6457920 | 0.61 | HRH1 (0.37) | TAAR1KIF11SMN1; SMN2 |
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-0969840-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-02-28 | — | — | EP | disclosed |
| EP-0969840-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998042342-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1998-10-01 | — | — | WO | disclosed |